Contact Info
Adam P. Hitchcock
B.I.M.R
McMaster University
Hamilton, ON
Canada L8S 4M1
V: +1 905 525-9140
    x24729
F: +1 905 521-2773
E:
U: __________
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|
Gas
Phase Core Excitation Database
last changed: 31 May 2025 (aph)
Name |
Formula |
alpha-formula |
edge |
filename |
Ref. Code |
Reference |
Hexaphenyldisilane |
(C6H5)6Si2 |
C36H30Si2 |
C1s |
a1-0cckk.os |
HH13 |
Hitchcock (unpublished) |
Hexaphenyldisilane |
(C6H5)6Si2 |
C36H30Si2 |
C1s |
a1-0sill.os |
HH13 |
Hitchcock (unpublished) |
Hexaphenyldisilane |
(C6H5)6Si2 |
C36H30Si2 |
C1s |
a1-1cckk.os |
HH13 |
Hitchcock (unpublished) |
Hexaphenyldisilane |
(C6H5)6Si2 |
C36H30Si2 |
Si 2p |
a1-1sill.os |
HH13 |
Hitchcock (unpublished) |
triphenyl silanol |
Ph3SiOH |
C18H16OSi |
C 1s |
a2-0cckk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
triphenyl silanol |
Ph3SiOH |
C18H16OSi |
O 1s |
a2-0ookk.os |
Ut+97 |
Organometallics 16 (1997) 2080. |
triphenyl silanol |
Ph3SiOH |
C18H16OSi |
Si 2p |
a2-0sill.os |
Ut+97 |
Organometallics 16 (1997) 2080. |
Boron |
B (atomic) |
B |
B 1s |
aaa-bbkk.os |
SF |
Optical grapher |
Carbon |
C (atomic) |
C |
C 1s |
aaa-cckk.os |
SF |
Optical grapher |
Chlorine |
Cl (atomic) |
Cl |
Cl 2p 2s |
aaa-clll.os |
SF |
Optical grapher |
Cobalt |
C (atomic) |
Co |
Co 2p 2s |
aaa-coll.os |
SF |
Optical grapher |
Iron |
Fe (atomic) |
Fe |
Fe 2p 2s |
aaa-fell.os |
SF |
Optical grapher |
Fluorine |
F (atomic) |
F |
F 1s |
aaa-ffkk.os |
SF |
Optical grapher |
Manganese |
Mn (atomic) |
Mn |
Mn 2p 2s |
aaa-mnll.os |
SF |
Optical grapher |
Neon |
Ne (atomic) |
Ne |
Ne 1s |
aaa-nell.os |
SF |
Optical grapher |
Nitrogen |
N (atomic) |
N |
N 1s |
aaa-nnkk.os |
SF |
Optical grapher |
Oxygen |
O (atomic) |
O |
O 1s |
aaa-ookk.os |
SF |
Optical grapher |
Selenium |
Se (atomic) |
Se |
Se 3d 3p 3s |
aaa-semm.os |
SF |
Optical grapher |
Silicon |
Si (atomic) |
Si |
Si 2p 2s |
aaa-sill.os |
SF |
Optical grapher |
Sulfur |
S (atomic) |
S |
S 2p 2s |
aaa-ssll.os |
SF |
Optical grapher |
titanium |
Ti (atomic) |
Ti |
Ti 2p 2s |
aaa-till.os |
SF |
Optical grapher |
Air (background) |
N2 (air) |
N2 |
N 1s |
ab-0nnkk.os |
UP |
|
Air (background) |
N2 & O2 (air) |
N2 |
N 1s & O 1s |
ab-0nokk.os |
UP |
|
Air (background) |
O2 (air) |
O2 |
O 1s |
ab-0ookk.os |
UP |
|
Acrylic acid |
CH2=CH-CO2H |
C3H4O2 |
C 1s |
ac-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Acrylic acid |
CH2=CH-CO2H |
C3H4O2 |
O 1s |
ac-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Perfluoroadamantine |
C10F16 |
C10F16 |
C 1s |
ad-0cckk.os |
HI88a |
Hitchcock (unpublished) |
Perfluoroadamantine |
C10F16 |
C10F16 |
F 1s |
ad-0ffkk.os |
HI88a |
Hitchcock (unpublished) |
Acetylene |
C2H2 |
C2H2 |
C 1s |
ae-0cckk.os |
HB77 |
J.El.Spec. 10 (77) 317. |
Trifluoroacetic acid |
CF3C00H |
C2F3HO2 |
C 1s |
af-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Trifluoroacetic acid |
CF3C00H |
C2F3HO2 |
F 1s |
af-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Trifluoroacetic acid |
CF3C00H |
C2F3HO2 |
O 1s |
af-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
acetaldehyde |
CH3HCO |
C2H4O |
C 1s |
ag_0cckk.os |
HB80b |
J. El. Spectrosc. 19 (1980) 231 |
acetaldehyde |
CH3HCO |
C2H4O |
O 1s |
ag_0ookk.os |
HB80b |
J. El. Spectrosc. 19 (1980) 231 |
alanine |
CH3CH(NH2)(COOH) |
CH7NO2 |
C1s |
AH-0CCKK.OS |
GH01 |
|
alanine |
CH3CH(NH2)(COOH) |
CH7NO2 |
N1s |
AH-0NNKK.OS |
GH01 |
|
alanine |
CH3CH(NH2)(COOH) |
CH7NO2 |
01s |
AH-0OOKK.OS |
GH01 |
|
alanine |
CH3CH(NH2)(COOH) |
CH7NO2 |
C1s |
ah-1cckk.os |
CG&04 |
J. El. Spec. 137-140 (2004) 795 |
Acetic acid |
CH3COOH |
C2H4O2 |
C 1s |
ai-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Acetic acid |
CH3COOH |
C2H4O2 |
O 1s |
ai-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Allylic alcohol |
H2CCHCH2OH |
C3H6O |
C 1s |
al-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Allylic alcohol |
H2CCHCH2OH |
C3H6O |
O 1s |
al-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Adamantine |
C10H16 |
C10H16 |
C 1s |
am-0cckk.os |
HI88a |
Hitchcock (unpublished) |
Acetonitrile |
CH2CN |
C2H3N |
C 1s |
an-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
Acetonitrile |
CH2CN |
C2H3N |
N 1s |
an-0nnkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
Phenylalanine |
Ph-CH(CO2H)(NH2) |
C8H9NO2 |
C1s |
AP-0CCKK.OS |
GH01 |
|
Phenylalanine |
Ph-CH(CO2H)(NH2) |
C8H9NO2 |
N1s |
AP-ONNKK.OS |
GH01 |
|
Phenylalanine |
Ph-CH(CO2H)(NH2) |
C8H9NO2 |
O1s |
AP-0OOKK.OS |
GH01 |
|
Phenylacetaldehyde |
(C6H5)CH2CHO |
C8H8O |
C1s |
aq-0cckk.os |
HH13 |
Hitchcock (unpublished) |
Phenylacetaldehyde |
(C6H5)CH2CHO |
C8H8O |
O1s |
aq-0ookk.os |
HH13 |
Hitchcock (unpublished) |
Acetone |
(CH3)2CO |
C3H6O |
C1s |
AT-0CCKK.OS |
RI&88 |
|
Acetone |
(CH3)2CO |
C3H6O |
01s |
AT-0OOKK.OS |
RI&88 |
|
Acetone |
(CH3)2CO |
C3H6O |
C1s |
at-1cckk.os |
HH13 |
Hitchcock (unpublished) |
NN-dimethylaniline |
C6H5N(CH3)2 |
C8H11N |
C 1s |
ax-0cckk.os |
HUR93 |
Hitchcock (unpublished) |
NN-dimethylaniline |
C6H5N(CH3)2 |
C8H11N |
N 1s |
ax-0nnkk.os |
HUR93 |
Hitchcock (unpublished). |
Aniline |
C6H5NH2 |
C6H7N |
C 1s |
ay-0cckk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
Aniline |
C6H5NH2 |
C6H7N |
N 1s |
ay-0nnkk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
Azulene |
C10H8 |
C10H8 |
C 1s |
az-0cckk.os |
HT&89 |
J. Phys. Chem. 93 (89) 7624. |
n-Butane |
C4H10 |
C4H10 |
C 1s |
ba-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
m-carborane |
B9C2H11 |
B10C2H12 |
B 1s |
bc-0bbkk.os |
HU&87 |
J. Phys. Chem. B. 101 (1997) 3483. |
m-carborane |
B9C2H11 |
B10C2H12 |
C 1s |
bc-0cckk.os |
HU&87 |
J. Phys. Chem. B. 101 (1997) 3483. |
Butyl acrylate |
H2C=CHCO2(CH2)3CH3 |
C7H12O2 |
C 1s |
be-0cckk.os |
LUH97 |
unpublished |
Butyl acrylate |
H2C=CHCO2(CH2)3CH3 |
C7H12O2 |
O 1s |
be-0ookk.os |
LUH97 |
unpublished |
borontrifluoride |
BF3 |
BF3 |
B 1s |
bf-0bbkk.os |
EA&91 |
Vac. Sci. Tech A 9 (91) 1663. |
borontrifluoride |
BF3 |
BF3 |
F 1s |
bf-0ffkk.os |
EA&91 |
Vac. Sci. Tech A 9 (91) 1663. |
Ortho-carborane |
B10C2H12 |
B10C2H12 |
B 1s |
bg-0bbkk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
Ortho-carborane |
B10C2H12 |
B10C2H12 |
C 1s |
bg-0cckk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
Diethylcarborane |
B4H4C2(Et)2 |
B4C6H14 |
B 1s |
bh-0bbkk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
Diethylcarborane |
B4H4C2(Et)2 |
B4C6H14 |
C 1s |
bh-0cckk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
Iron-phosphaborane |
Cp(CO)2FeB5H2PBz2 |
B5C17FeH22O2 |
B 1s |
bi-0bbkk.os |
HLD91 |
unpublished |
Iron-phosphaborane |
Cp(CO)2FeB5H2PBz2 |
B5C17FeH22O2 |
C 1s |
bi-0cckk.os |
HLD91 |
unpublished |
Iron-phosphaborane |
Cp(CO)2FeB5H2PBz2 |
B5C17FeH22O2 |
Fe 2p |
bi-0fell.os |
HLD91 |
unpublished |
Decaborane |
B10H14 |
B10H14 |
B 1s |
bj-0bbkk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
Pentaborane |
B5H9 |
B5H9 |
B 1s |
bk-0bbkk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
S-naphthalene |
C6H4N2S2 |
C6H4N2S2 |
C 1s |
bl-0cckk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
S-naphthalene |
C6H4N2S2 |
C6H4N2S2 |
N 1s |
bl-0nnkk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
S-naphthalene |
C6H4N2S2 |
C6H4N2S2 |
S 2p 2s |
bl-0sskk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
Diphenyl-phosphaborane |
Bz2PB5H8 |
B5C12H18P |
B 1s |
bm-0bbkk.os |
HLD91 |
unpublished. |
Diphenyl-phosphaborane |
Bz2PB5H8 |
B5C12H18P |
C 1s |
bm-0cckk.os |
HLD91 |
unpublished. |
Benzaldehyde |
C6H5CHO |
C7H6O |
C 1s |
bn-0cckk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736 |
Benzaldehyde |
C6H5CHO |
C7H6O |
O 1s |
bn-0ookk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
Borazine |
B3N3H6 |
B3H6N3 |
B 1s |
bo-0bbkk.os |
DG&86 |
Am. Chem. Soc. 108 (86) 3602. |
Borazine |
B3N3H6 |
B3H6N3 |
N 1s |
bo-0nnkk.os |
DG&86 |
Am. Chem. Soc. 108 (86) 3602. |
Bis(t-Butyl)peroxide |
((CH3)3CO)2 |
C8H18O2 |
C 1s |
bp-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344 |
Bis(t-Butyl)peroxide |
((CH3)3CO)2 |
C8H18O2 |
O 1s |
bp-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344 |
Benzonitrile |
C6H5CN |
C7H5N |
C 1s |
bq-0cckk.os |
H92a |
Hitchcock (unpublished) |
Benzonitrile |
C6H5CN |
C7H5N |
N 1s |
bq-0nnkk.os |
H92a |
Hitchcock (unpublished) |
perfluoro biphenyl |
C12F10 |
C12F10 |
C 1s |
br-0cckk.os |
XX25 |
UP |
perfluoro biphenyl |
C12F10 |
C12F10 |
F 1s |
br-0ffkk.os |
XX25 |
UP |
biphenyl |
C12H10 |
C12H10 |
C 1s |
bs-0cckk.os |
XX25 |
Hitchcock (unpublished) |
Butadiene |
CH2=CHCH=CH2 |
C4H8 |
C 1s |
bt-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683 |
Biuret |
C2H5N3O2 |
C2H5N3O2 |
1s |
BU-0CCKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Biuret |
C2H5N3O2 |
C2H5N3O2 |
1s |
BU-0NNKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
13524-benzotrithiadiazepine |
C6H4S3N2 |
C6H4N2S3 |
C 1s |
bv-0cckk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
13524-benzotrithiadiazepine |
C6H4S3N2 |
C6H4N2S3 |
N 1s |
bv-0nnkk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
13524-benzotrithiadiazepine |
C6H4S3N2 |
C6H4N2S3 |
S 2p 2s |
bv-0sskk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
213-benzotrithiadiazole |
C6H4SN2 |
C6H4N2S |
C 1s |
bw-0cckk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
213-benzotrithiadiazole |
C6H4SN2 |
C6H4N2S |
N 1s |
bw-0nnkk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
213-benzotrithiadiazole |
C6H4SN2 |
C6H4N2S |
S 2p 2s |
bw-0sskk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
2-Butyne |
CH3C:::CCH3 |
C4H6 |
C 1s |
by-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Benzene |
C6H6 |
C6H6 |
C 1s |
bz-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Benzenechromium tricarbonyl |
BzCr(CO)3 |
C9CrH6O3 |
C 1s |
ca-0cckk.os |
WHR92 |
unpublished. |
Benzenechromium tricarbonyl |
BzCr(CO)3 |
C9CrH6O3 |
O 1s |
ca-0ookk.os |
WHR92 |
unpublished. |
Cyclobutane |
c-C4H8 |
C4H8 |
C 1s |
cb-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
Dicobaltoctacarbonyl |
Co2(CO)8 |
C8Co2O8 |
C 1s |
cc-0cckk.os |
RWH91 |
J. El. Spec. 57 (91) 137 |
Dicobaltoctacarbonyl |
Co2(CO)8 |
C8Co2O8 |
Co 2p |
cc-0col3.os |
RWH91 |
J. El. Spec. 57 (91) 137 |
Dicobaltoctacarbonyl |
Co2(CO)8 |
C8Co2O8 |
O 1s |
cc-0ookk.os |
RWH91 |
J. El. Spec. 57 (91) 137 |
Carbon dioxide |
CO2 |
CO2 |
C 1s |
cd-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
Carbon dioxide |
CO2 |
CO2 |
O 1s |
cd-0ookk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
12-dichloroethane |
CH2Cl-CH2Cl |
C2Cl2H4 |
C 1s |
ce-0cckk.os |
H92a |
Hitchcock (unpublished) |
12-dichloroethane |
CH2Cl-CH2Cl |
C2Cl2H4 |
Cl 2p |
ce-0cll3.os |
H92a |
Hitchcock (unpublished) |
Carbonyl Fluoride |
CF2O |
CF2O |
C 1s |
cf-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Carbonyl Fluoride |
CF2O |
CF2O |
F 1s |
cf-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Carbonyl Fluoride |
CF2O |
CF2O |
O 1s |
cf-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Cyclohexene |
c-C6H8 |
C6H8 |
C 1s |
ch-0cckk.os |
HR89 H91 |
Physica B 158 (89) 403. |
cis-12-difluoroethene |
C2F2H2 |
C2F2H2 |
C 1s |
ci-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683 |
cis-12-difluoroethene |
C2F2H2 |
C2F2H2 |
F 1s |
ci-0ffkk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683 |
dichloro-difluoro-methane |
CCl2F2 |
CCl2F2 |
C 1s |
cj-0cckk.os |
H14 |
Patel & Hitchcock (unpublished) |
dichloro-difluoro-methane |
CCl2F2 |
CCl2F2 |
Cl 2p 2s C 1s |
cj-0clcc.os |
H14 |
Patel & Hitchcock (unpublished) |
dichloro-difluoro-methane |
CCl2F2 |
CCl2F2 |
Cl 2p 2s |
cj-0clll.os |
H14 |
Patel & Hitchcock (unpublished) |
dichloro-difluoro-methane |
CCl2F2 |
CCl2F2 |
F 1s |
cj-0ffkk.os |
H14 |
Patel & Hitchcock (unpublished) |
11-difluoro-ethane |
CH3CF2H |
C2F2H4 |
C 1s |
ck-0cckk.os |
19 |
Hitchcock (unpublished) |
11-difluoro-ethane |
CH3CF2H |
C2F2H4 |
F 1s |
ck-0ffkk.os |
19 |
Hitchcock (unpublished) |
Cyclopentadienylcobalt dicarbonyl |
CpCo(CO)2 |
C7CoH5O2 |
C 1s |
cm-0cckk.os |
RWH91 |
J. El. Spec. 57 (91) 137. |
Cyclopentadienylcobalt dicarbonyl |
CpCo(CO)2 |
C7CoH5O2 |
Co 2p |
cm-0col3.os |
RWH91 |
J. El. Spec. 57 (91) 137. |
Cyclopentadienylcobalt dicarbonyl |
CpCo(CO)2 |
C7CoH5O2 |
O 1s |
cm-0ookk.os |
RWH91 |
J. El. Spec. 57 (91) 137. |
Carbonmonoxide |
CO |
CO |
C 1s |
co-0cckk.os |
HB80a |
J. El. Spec.18 (80) 1. |
Carbonmonoxide |
CO |
CO |
O 1s |
co-0ookk.os |
HB80a |
J. El. Spec.18 (80) 1. |
Cyclopropane |
c-C3H6 |
C3H6 |
C 1s |
cp-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
Carbondisulphide |
CS2 |
CS2 |
C 1s |
cs-0cckk.os |
MH&89 |
Hitchcock (unpublished) |
Carbondisulphide |
CS2 |
CS2 |
S 2p |
cs-0ssl3.os |
MH&89 |
Hitchcock (unpublished) |
Toluenechromiumtricarbonyl |
CH3-C6H5-Cr(CO)3 |
C10CrH8O3 |
C 1s |
ct-0cckk.os |
WRH89 |
unpublished. |
phosphorus trichloride |
PCl3 |
Cl3P |
P 2p |
cu-0ppl3.os |
HH&98 |
J. El. Spec. 94 (1998) 187 - DIGITIZED |
Chromocene |
Cr(Cp)2 |
C10CrH10 |
C 1s |
cx-0cckk.os |
HWR89 |
unpublished. |
Cobaltacene |
Co(Cp)2 |
C10CoH10 |
C 1s |
cy-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
Cobaltacene |
Co(Cp)2 |
C10CoH10 |
Co 2p |
cy-0col3.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
bis-benzenechromium |
Cr(Bz)2 |
C12CrH12 |
C 1s |
cz-0cckk.os |
WHR92 |
unpublished. |
Decylalcohol |
C10H21OH |
C10H22O |
C 1s |
da-0cckk.os |
HI88a |
Hitchcock (unpublished) |
t-butyl-ferrocene |
(C5H5)Fe(C5H4-C(CH3)3) |
C14FeH18 |
C 1s |
dc-0cckk.os |
WRH92 |
Organometallics 11 (92) 2559. |
t-butyl-ferrocene |
(C5H5)Fe(C5H4-C(CH3)3) |
C14FeH18 |
Fe 2p |
dc-0fel3.os |
WRH92 |
Organometallics 11 (92) 2559. |
Diethylether |
(C2H5)2O |
C4H10O |
C 1s |
de-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
Diethylether |
(C2H5)2O |
C4H10O |
O 1s |
de-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
Difluorobenzene |
c-C6H4F2 |
C6F2H4 |
C 1s |
df-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Difluorobenzene |
c-C6H4F2 |
C6F2H4 |
F 1s |
df-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Dicyanoimidazole |
C3N2H2(CN)2 |
C5H2N4 |
C 1s |
di-0cckk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
Dicyanoimidazole |
C3N2H2(CN)2 |
C5H2N4 |
N 1s |
di-0nnkk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
22-dimethylpropane |
C(CH3)4 |
C5H12 |
C 1s |
dm-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
Diazadiene |
C10N2H18 |
C10H20N2 |
C 1s |
dn-0cckk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Diazadiene |
C10N2H18 |
C10H20N2 |
N 1s |
dn-0nnkk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Dihydropyran |
c-C5H8O |
C5H8O |
C 1s |
dp-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Dihydropyran |
c-C5H8O |
C5H8O |
O 1s |
dp-0ookk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
all |
ds-0aakk.os |
H15 |
Hitchcock (unpublished) |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
C 1s |
ds-0cckk.os |
H15 |
Hitchcock (unpublished) |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
C 1s |
ds-0ookk.os |
H15 |
Hitchcock (unpublished) |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
C 1s |
ds-0ssl1.os |
H15 |
Hitchcock (unpublished) |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
C 1s |
ds-0ssl3.os |
H15 |
Hitchcock (unpublished) |
Dimethyl-terephthalate |
CH3O-CO-C6H4-COOCH3 |
C10H10O4 |
C 1s |
dt-0cckk.os |
UH&95b |
J. Pol. Sci. B Pol. Phys. 33 (1995) 1603. |
Dimethyl-terephthalate |
CH3O-CO-C6H4-COOCH3 |
C10H10O4 |
O 1s |
dt-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
Ethanol |
CH3CH2OH |
C2H6O |
C 1s |
ea-0cckk.os |
H92a |
Hitchcock (unpublished) |
Ethanol |
CH3CH2OH |
C2H6O |
O 1s |
ea-0ookk.os |
H92a |
Hitchcock (unpublished) |
Ethylbenzoate |
C2H5O-CO-C6H5 |
C9H10O2 |
C 1s |
eb-0cckk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
Ethylbenzoate |
C2H5O-CO-C6H5 |
C9H10O2 |
O 1s |
eb-0ookk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
Trichloroethylene |
CCl2=CHCl |
C2Cl3H |
C 1s |
ec-0cckk.os |
WH90 |
Hitchcock (unpublished) |
Trichloroethylene |
CCl2=CHCl |
C2Cl3H |
Cl 2p |
ec-0cll3.os |
WH90 |
Hitchcock (unpublished) |
Chloro-trifluoro-ethylene |
CF2=CFCl |
C2ClF3 |
C 1s |
ed-0cckk.os |
H13 |
Hitchcock (unpublished) |
Chloro-trifluoro-ethylene |
CF2=CFCl |
C2ClF3 |
Cl 2p |
ed-0clll.os |
H13 |
Hitchcock (unpublished) |
111-trifluoro-ethane |
CF3CH3 |
C2F3H3 |
C 1s |
ef-0cckk.os |
RI&88 H90 |
J.El.Spec. 47 (88) 53; Phys. Scripta T31 (90) 159. |
111-trifluoro-ethane |
CF3CH3 |
C2F3H3 |
F 1s |
ef-0ffkk.os |
RI&88 H90 |
J.El.Spec. 47 (88) 53; Phys. Scripta T31 (90) 159. |
ethylene glycol |
OH-CH2CH2-OH |
C2H6O2 |
C 1s |
EG-0CCKK.OS |
EUH98 |
|
ethylene glycol |
OH-CH2CH2-OH |
C2H6O2 |
O 1s |
EG-0OOKK.OS |
EUH98 |
|
Ethylene |
C2H4 |
C2H4 |
C 1s |
eh-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
Ethyl allophanate |
NH2CONHCOOC2H5 |
C4H8N2O3 |
C 1s |
EP-0CCKK.OS |
UH&99 |
|
Ethyl allophanate |
NH2CONHCOOC2H5 |
C4H8N2O3 |
N 1s |
EP-0NNKK.OS |
UH&99 |
|
Ethyl allophanate |
NH2CONHCOOC2H5 |
C4H8N2O3 |
O 1s |
EP-0OOKK.OS |
UH&99 |
|
Ethane |
C2H6 |
C2H6 |
C 1s |
et-0cckk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104 |
Formic acid |
HCOOH |
CH2O2 |
C 1s |
fa-0cckk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
Formic acid |
HCOOH |
CH2O2 |
O 1s |
fa-0ookk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
13-hexafluorobutadiene |
CF2CF=CFCF2 |
C4F6 |
C 1s |
fb-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
13- Hexafluorobutadiene |
CF2CF=CFCF2 |
C4F6 |
F 1s |
fb-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
per-Fluoro-Cyclobutane |
c-C4F8 |
C4F8 |
C 1s |
fc-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
per-Fluoro-Cyclobutane |
c-C4F8 |
C4F8 |
F 1s |
fc-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
Perflurocyclohexane |
c-C6F12 |
C6F12 |
C 1s |
fd-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Perflurocyclohexane |
c-C6F12 |
C6F12 |
F 1s |
fd-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
Hexafluoroethane |
CF3CF3 |
C2F6 |
C 1s |
fe-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Hexafluoroethane |
CF3CF3 |
C2F6 |
F 1s |
fe-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
11-difluoroethene |
CF2CH2 |
C2F2H2 |
C 1s |
ff-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
11-ifluoroethene |
CF2CH2 |
C2F2H2 |
F 1s |
ff-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
perfluorocyclopentene |
C5F8 |
C5F8 |
C 1s |
fg-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
perfluorocyclopentene |
c-C5F8 |
C5F8 |
F 1s |
fg-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
perfluorohexane |
C6F14 |
C6F14 |
C 1s |
fh-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
perfluorohexane |
C6F14 |
C6F14 |
F 1s |
fh-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
perfluorocyclopentane |
c-C5F10 |
C5F10 |
C 1s |
fi-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
perfluorocyclopentane |
c-C5F10 |
C5F10 |
F 1s |
fi-0ffkk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
cyclohexadiene-iron-tricarbonyl |
c-C6H8Fe(CO)3 |
C9FeH8O3 |
C 1s |
fj-0cckk.os |
WRH92 |
Organometallics 11 (92) 2559 |
cyclohexadiene-iron-tricarbonyl |
c-C6H8Fe(CO)3 |
C9FeH8O3 |
Fe 2p |
fj-0fel3.os |
WRH92 |
Organometallics 11 (92) 2559 |
cyclohexadiene-iron-tricarbonyl |
c-C6H8Fe(CO)3 |
C9FeH8O3 |
O 1s |
fj-0ookk.os |
WRH92 |
Organometallics 11 (92) 2559 |
Iron nonacarbonyl |
C9Fe2O9 |
C9Fe2O9 |
C 1s |
fk-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Iron nonacarbonyl |
C9Fe2O9 |
C9Fe2O9 |
Fe 2p |
fk-0fel3.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Iron nonacarbonyl |
Fe2(CO)9 |
C9Fe2O9 |
O 1s |
fk-0ookk.os |
WRH92 |
Organometallics 11 (92) 2559. |
Formylfluoride |
CFHO |
CFHO |
C 1s |
fl-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Formylfluoride |
FCHO |
CFHO |
F 1s |
fl-0ffkk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
Formylfluoride |
CFHO |
CFHO |
O 1s |
fl-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Formamide |
HCONH2 |
CH3ON |
C 1s |
fm-0cckk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
Formamide |
CH3NO |
CH3ON |
N 1s |
fm-0nnkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Formamide |
HCONH2 |
CH3ON |
O 1s |
fm-0ookk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
Perfluorobutane |
C4F10 |
C4F10 |
C 1s |
fn-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Perfluorobutane |
C4F10 |
C4F10 |
F 1s |
fn-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Perfluoroeneopentane |
C5F12 |
C5F12 |
C 1s |
fo-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Perfluoroeneopentane |
C5F12 |
C5F12 |
F 1s |
fo-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
perfluoropropane |
C3F8 |
C3F8 |
C 1s |
fp-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Perfluoropropane |
CF3CF2CF3 |
C3F8 |
F 1s |
fp-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Cyclooctatetraeneiron tricarbonyl |
C8H8Fe(CO)3 |
C11FeH8O3 |
C 1s |
fq-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Cyclooctatetraeneiron tricarbonyl |
C8H8Fe(CO)3 |
C11FeH8O3 |
Fe 2p |
fq-0llkk.os |
WRH92 |
Organometallics 11 (92) 2559. |
cyclooctatetraene-iron-tricarbonyl |
c-C8H8Fe(CO)3 |
C11FeH8O3 |
O 1s |
fq-0ookk.os |
WRH92 |
Organometallics 11 (92) 2559. |
Perfluorocyclopropane |
c-C3F6 |
C3F6 |
C 1s |
fr-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
Perfluorocyclopropane |
c-C3F6 |
C3F6 |
F 1s |
fr-0ffkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
butadiene-iron-tricarbonyl |
C4H6Fe(CO)3 |
C7FeH6O3 |
C 1s |
fs-0cckk.os |
WRH92 |
Organometallics 11 (92) 2559 |
butadiene-iron-tricarbonyl |
C4H6Fe(CO)3 |
C7FeH6O3 |
Fe 2p |
fs-0fell.os |
WRH92 |
Organometallics 11 (92) 2559 |
butadiene-iron-tricarbonyl |
C4H6Fe(CO)3 |
C7FeH6O3 |
O 1s |
fs-0ookk.os |
WRH92 |
Organometallics 11 (92) 2559 |
perfluoro-2-butene |
CF3CF=CFCF3 |
C4F8 |
C 1s |
ft-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
perfluoro-2-butene |
CF3CF=CFCF3 |
C4F8 |
F 1s |
ft-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Vinylferrocene |
CH2CHC5H4FeC5H5 |
C12FeH12 |
C 1s |
fu-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Vinylferrocene |
CH2CHC5H4FeC5H5 |
C12H12Fe |
Fe 2p |
fu-0llkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Perfluoro-n-pentane |
C5F12 |
C5F12 |
C 1s |
fv-0cckk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104 |
Perfluoro-n-pentane |
C5F12 |
C5F12 |
F 1s |
fv-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104 |
Iron Pentacarbonyl |
Fe(CO)5 |
C5FeO5 |
C 1s |
fw-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Iron Pentacarbonyl |
Fe(CO)5 |
C5FeO5 |
Fe 2p |
fw-0fel3.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
Iron Pentacarbonyl |
Fe(CO)5 |
C5FeO5 |
O 1s |
fw-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
ferrocene |
Fe(C5H5)2 |
C10FeH10 |
C 1s |
fx-0cckk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069 |
ferrocene |
Fee(C5H5)2 |
C10FeH10 |
Fe 2p |
fx-0fel3.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069 |
Perfluoro-2-butyne (Matheson) |
CF3CCCF3 |
C4F6 |
C 1s |
fy-0cckk.os |
RI*88 |
J. El. Spec. 47 (1988) 53 |
Perfluoro-2-butyne (Matheson) |
CF3CCCF3 |
C4F6 |
F 1s |
fy-0ffkk.os |
RI*88 |
J. El. Spec. 47 (1988) 53 |
formaldehyde |
H2CO |
CH2O |
C 1s |
fz_0cckk.os |
HB80b |
J. El. Spectrosc. 19 (1980) 231 |
formaldehyde |
H2CO |
CH2O |
O 1s |
fz_0ookk.os |
HB80b |
J. El. Spectrosc. 19 (1980) 231 |
Chloro-FRED |
Cl-C-(Co(CO)3)3 |
C10ClCo3O9 |
C 1s |
gf-0cckk.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
Chloro-FRED |
Cl-C-(Co(CO)3)3 |
C10ClCo3O9 |
Cl 2p |
gf-0cll3.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
Chloro-FRED |
Cl-C-(Co(CO)3)3 |
C10ClCo3O9 |
Co 2p |
gf-0col3.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
Chloro-FRED |
Cl-C-(Co(CO)3)3 |
C10ClCo3O9 |
O 1s |
gf-0ookk.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
glycl-glycine |
(CO2H)CH(Me)NHCOCH(Me) |
C6H10N2O2 |
C1s |
GG-0CCKK.OS |
GC&03 |
|
glycl-glycine |
(CO2H)CH(Me)NHCOCH(Me) |
C6H10N2O2 |
N1s |
GG-0NNKK.OS |
GC&03 |
|
glycl-glycine |
(CO2H)CH(Me)NHCOCH(Me) |
C6H10N2O2 |
O1s |
GG-0OOKK.OS |
GC&03 |
|
glycine |
NH2CH2COOH |
C2H5O2N |
C1s |
GL-0CCKK.OS |
GC&03 |
|
glycine |
NH2CH2COOH |
C2H5O2N |
N1s |
GL-0NNKK.OS |
GC&03 |
|
glycine |
NH2CH2COOH |
C2H5O2N |
O1s |
GL-0OOKK.OS |
GC&03 |
|
glycine |
NH2CH2COOH |
C2H5O2N |
C1s |
GL-1CCKK.OS |
GC&03 GC&04 |
ys.Chem A 107 (2003) 6144. J.El.Spec. 137-140 (2004) 795. |
dimethyl carbonate |
(CH3O)2CO |
C3H6O3 |
C 1s |
gm-0cckk.os |
LC&07 |
Chemical Physics 331 (2007) 289 |
dimethyl carbonate |
(CH3O)2CO |
C3H6O3 |
O 1s |
gm-0ookk.os |
LC&07 |
Chemical Physics 331 (2007) 289 |
diphenyl carbonate |
(C6H5O)2CO |
C13H10O3 |
C 1s |
gp-0cckk.os |
LC&07 |
Chemical Physics 331 (2007) 289 |
saturated Germylene |
C10N2H22Ge |
C10N2H22Ge |
C 1s |
gs-0cckk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
saturated Germylene |
C10N2H22Ge |
C10N2H22Ge |
Ge 3p |
gs-0ge3p.os |
LU&99 |
Organometallics 18 (1999) 1862 |
saturated Germylene |
C10N2H22Ge |
C10N2H22Ge |
N 1s |
gs-0nnkk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Cyclopentadiene vanadium tetracarbonyl |
C5H5V(CO)4 |
C9H5O4V |
C 1s |
gt-0cckk.os |
WHR92 |
unpublished |
Cyclopentadiene vanadium tetracarbonyl |
C5H5V(CO)4 |
C9H5O4V |
O 1s |
gt-0ookk.os |
WHR92 |
unpublished |
Cyclopentadiene vanadium tetracarbonyl |
(C5H5)V(CO)4 |
C9H5O4V |
V 2p |
gt-0vvll.os |
WHR92 |
unpublished |
unsaturated Germylene |
C10N2H20Ge |
C10N2H20Ge |
C 1s |
gu-0cckk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
unsaturated Germylene |
C10N2H20Ge |
C10N2H20Ge |
Ge 3p |
gu-0ge3p.os |
LU&99 |
Organometallics 18 (1999) 1862 |
unsaturated Germylene |
C10N2H20Ge |
C10N2H20Ge |
N 1s |
gu-0nnkk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Perfluoroacetone |
CF3COCF3 |
C3F6O |
C 1s |
ha-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Perfluoroacetone |
CF3COCF3 |
C3F6O |
F 1s |
ha-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Perfluoroacetone |
CF3COCF3 |
C3F6O |
O 1s |
ha-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
13-cyclohexadiene |
c-C6H8 |
C6H8 |
C 1s |
hc-0cckk.os |
H91 |
Hitchcock (unpublished) |
14-cyclohexadiene |
c-C6H8 |
C6H8 |
C 1s |
hd-0cckk.os |
H91 |
Hitchcock (unpublised) |
Hexafluorobenzene |
c-C6F6 |
C6F6 |
C 1s |
hf-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Hexafluorobenzene |
c-C6F6 |
C6F6 |
F 1s |
hf-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Cyclohexane |
c-C6H10 |
C6H10 |
C 1s |
hg-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
Hydrazine |
N2H4 |
H4N2 |
N 1s |
hn-0nnkk.os |
H90a |
Phys. Scripta T31 (90) 159. |
Hydrogen peroxide |
H2O2 |
H2O2 |
O 1s |
hp-0ookk.os |
RH91 |
Chem. Phys. 154 (91) 323. |
24-hexadiene |
C6H6 |
C6H6 |
C 1s |
hv-0cckk.os |
HS90 |
unpublished |
16-heptadiyne |
HC:::C(CH2)3C:::CH |
C7H8 |
C 1s |
hz-0cckk.os |
HS90 |
unpublished |
Isobutane |
CH3CH(CH3)CH3 |
C4H10 |
C 1s |
ib-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
isopropyl ether |
[(CH3)2CH]2O |
C6H14O |
C 1s |
ie-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
isopropyl ether |
[(CH3)2CH]2O |
C6H14O |
O 1s |
ie-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
ethyl carbamate |
NH2COOC2H5 |
C3H7NO2 |
C 1s |
if-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
ethyl carbamate |
NH2COOC2H5 |
C3H7NO2 |
N 1s |
if-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
ethyl carbamate |
NH2COOC2H5 |
C3H7NO2 |
O 1s |
if-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
N-methyl-N-phenylurethane |
C6H5N(CH3)CO2C2H5 |
C10H13NO2 |
C 1s |
ig-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
N-methyl-N-phenylurethane |
C6H5N(CH3)CO2C2H5 |
C10H13NO2 |
N 1s |
ig-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
N-methyl-N-phenylurethane |
C6H5N(CH3)CO2C2H5 |
C10H13NO2 |
O 1s |
ig-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
diphenylmethane |
(C6H5)2CH2 |
C13H12 |
C 1s |
ih-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
sec-Butyl-Ethyl-Ether |
CH3OC4H11 |
C5H14O |
C 1s |
ii-0cckk.os |
UHR95 |
unpublished. |
sec-Butyl-Ethyl-Ether |
CH3OC4H11 |
C5H14O |
O 1s |
ii-0ookk.os |
UHR95 |
unpublished |
NN-diphenyl urea |
(C6H5NH)2CO |
C13H12N2O |
C 1s |
ij-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
NN-diphenyl urea |
(C6H5NH)2CO |
C13H12N2O |
N 1s |
ij-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
NN-diphenyl urea |
(C6H5NH)2CO |
C13H12N2O |
O 1s |
ij-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
ethyl N-phenyl carbamate |
C6H5NHCOOCH2CH3 |
C9H11NO2 |
C 1s |
ik-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
ethyl N-phenyl carbamate |
C6H5NHCOOCH2CH3 |
C9H11NO2 |
N 1s |
ik-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
ethyl N-phenyl carbamate |
C6H5NHCOOCH2CH3 |
C9H11NO2 |
O 1s |
ik-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
phenylurea |
C6H5NHCONH2 |
C7H8N2O |
C 1s |
il-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
phenylurea |
C6H5NHCONH2 |
C7H8N2O |
N 1s |
il-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
phenylurea |
C6H5NHCONH2 |
C7H8N2O |
O 1s |
il-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
benzyl carbamate |
C6H5CH2CONH2 |
C8H9NO |
C 1s |
im-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
benzyl carbamate |
C6H5CH2CONH2 |
C8H9NO |
N 1s |
im-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
benzyl carbamate |
C6H5CH2CONH2 |
C8H9NO |
O 1s |
im-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
246-triphenoxy-135-triazine |
(Ph-O)3-C3N3 |
C21H15N3O3 |
C 1s |
in-0cckk.os |
UHR92 |
Hitchcock (unpublished). |
246-triphenoxy-135-triazine |
(Ph-O)3-C3N3 |
C21H15N3O3 |
N 1s |
in-0nnkk.os |
UHR92 |
Hitchcock (unpublished). |
246-triphenoxy-135-triazine |
(Ph-O)3-C3N3 |
C21H15N3O3 |
O 1s |
in-0ookk.os |
UHR92 |
Hitchcock (unpublished). |
Isopentane (i.e. 2-methylbutane) |
CH3CH(CH3)CH2CH3 |
C5H12 |
C 1s |
ip-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
Isopropanol |
C3H7OH |
C3H8O |
C1s |
is-0cckk.os |
HH13 |
Hitchcock (unpublished) |
Isopropanol |
C3H7OH |
C3H8O |
O1s |
is-0ookk.os |
HH13 |
Hitchcock (unpublished) |
Imidazole |
C3H4N2 |
C3H4N2 |
C 1s |
iz-0cckk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
Imidazole |
C3H4N2 |
C3H4N2 |
N 1s |
iz-0nnkk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
TDI bis ethyl urethane |
C13H17N2O4 |
C13H17N2O4 |
C 1s |
ja-0cckk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
TDI bis ethyl urethane |
C13H17N2O4 |
C13H17N2O4 |
N 1s |
ja-0nnkk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
TDI bis ethyl urethane |
C13H17N2O4 |
C13H17N2O4 |
O 1s |
ja-0ookk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
MDI bis ethyl urethane |
C19H22N2O4 |
C19H22N2O4 |
C 1s |
je-0cckk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
MDI bis ethyl urethane |
C19H22N2O4 |
C19H22N2O4 |
N 1s |
je-0nnkk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
trimethyl isocyanurate |
C6H9N3O3 |
C6H9N3O3 |
C 1s |
jg-0cckk.os |
UA&99 |
|
trimethyl isocyanurate |
C6H9N3O3 |
C6H9N3O3 |
N 1s |
jg-0nnkk.os |
UA&99 |
|
trimethyl isocyanurate |
C6H9N3O3 |
C6H9N3O3 |
O 1s |
jg-0ookk.os |
UA&99 |
|
triphenyl isocyanurate |
C21H15N3O3 |
C21H15N3O3 |
C 1s |
jh-0cckk.os |
UHR92 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
12-cyclohexanedione |
para-O=C6H8=O |
C6H8O2 |
C 1s |
ka-0cckk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
12-cyclohexanedione |
para-O=C6H8=O |
C6H8O2 |
O 1s |
ka-0ookk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
13-cyclohexanedione |
c-C6H8O2 |
C6H8O2 |
C 1s |
kb-0cckk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
13-cyclohexanedione |
c-C6H8O2 |
C6H8O2 |
O 1s |
kb-0ookk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
14-cyclohexanedione |
C6H8O2 |
C6H8O2 |
C 1s |
kc-0cckk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
14-cyclohexanedione |
C6H8O2 |
C6H8O2 |
O 1s |
kc-0ookk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
cyclohexanone |
c-C6H10O |
C6H10O |
C 1s |
kd-0cckk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
cyclohexanone |
c-C6H10O |
C6H10O |
O 1s |
kd-0ookk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
4-HEXEN-3-ONE |
C2H5(CO)C2H2(ME) |
C6H10O |
C1s |
KE-0CCKK.OS |
LUH99 |
|
4-HEXEN-3-ONE |
C2H5(CO)C2H2(ME) |
C6H10O |
O1s |
KE-0OOKK.OS |
LUH99 |
|
2-cyclohexen-1-one |
C6H8O |
C6H80 |
C1s |
KF-0CCKK.OS |
LUH99 |
|
2-cyclohexen-1-one |
C6H8O |
C6H80 |
O1s |
KF-0OOKK.OS |
LUH99 |
|
Phenyl Ether |
PH(O)PH |
C12H10O |
C1s |
KH-0CCKK.OS |
UP |
|
Phenylacetylene |
C8H6 |
C8H6 |
C1s |
KI-0CCKK.OS |
LUH99 |
|
tetraphenylcyclopentadienone |
C5(O)(PH)5 |
C29H20O |
C1s |
KJ-0CCKK.OS |
LUH99 |
|
dimethyl pyrocarbonate |
MeO-CO-O-CO-OMe |
C4H6O5 |
C 1s |
KL-0CCKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Dimethyl Pyrocarbonate |
ME(O)CO(O)CO(O)ME |
C4H6O5 |
O1s |
KL-0OOKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Trifluoromethyl-norbornene |
C7H9CF3 |
C8F3H9 |
C 1s |
km-0cckk.os |
WH&90 |
Can. J. Chem. 68 (90) 1967. |
Diacetimide |
ME(CO)NH(CO)ME |
C4H7NO2 |
C1s |
KN-0CCKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Diacetimide |
ME(CO)NH(CO)ME |
C4H7NO2 |
N1s |
KN-0NNKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Diacetimide |
ME(CO)NH(CO)ME |
C4H7NO2 |
O1s |
KN-0OOKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Acetic Anhydride |
ME(CO)O(CO)ME |
C4H6O3 |
C1s |
KO-0CCKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Acetic Anhydride |
ME(CO)O(CO)ME |
C4H6O3 |
O1s |
KO-0OOKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
AcetylAcetone |
ME(CO)CH2(CO)ME |
C5H8O2 |
C1s |
KP-0CCKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
AcetylAcetone |
ME(CO)CH2(CO)ME |
C5H8O2 |
O1s |
KP-0OOKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Dimethyl Malonate |
ME(O)CO(CH2)CO(O)ME |
C5H8O4 |
C1s |
KQ-0CCKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Dimethyl Malonate |
ME(O)CO(CH2)CO(O)ME |
C5H8O4 |
O1s |
KQ-0OOKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Malonamide |
NH2(CO)CH2(CO)NH2 |
C3H6N2O2 |
C1s |
KR-0CCKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Malonamide |
NH2(CO)CH2(CO)NH2 |
C3H6N2O2 |
N1s |
KR-0NNKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Malonamide |
NH2(CO)CH2(CO)NH2 |
C3H6N2O2 |
O1s |
KR-0OOKK.OS |
LC&07 |
Chemical Physics 331 (2007) 289 |
Anthracene |
C14H10 |
C14H10 |
C1s |
KT-0CCKK.OS |
GT&03 |
unpublished |
Pyrene |
C16H10 |
C16H10 |
C1s |
KU-0CCKK.OS |
GT&03 |
|
Triphenylene |
C18H12 |
C18H12 |
C1s |
KV-0CCKK.OS |
GT&03 |
|
Phenanthrene |
C14H10 |
C14H10 |
C1s |
KW-0CCKK.OS |
GT&03 |
|
12-Benzanthracene |
C18H12 |
C18H12 |
C1s |
KX-0CCKK.OS |
GT&03 |
|
Toluene ethyl urea |
C16H19N4O2 |
C16H19N4O2 |
C1s |
KY-0CCKK.OS |
XX04 |
|
lactic acid |
CH3CH(OH)COOH |
C3H6O3 |
C1s |
LA-0CCKK.OS |
GC&03 |
|
lactic acid |
CH3CH(OH)COOH |
C3H6O3 |
01s |
LA-0OOKK.OS |
GC&03 |
|
cysteine |
NH2-CH(CH2SH)-COOH |
C3H7NO2S |
C 1s |
ld-0cckk.os |
JS&08 |
H. Jiang |
Manganese carbonylbromide |
Mn(CO)5Br |
BrC5MnO5 |
C 1s |
mb-0cckk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
Manganese carbonylbromide |
Mn(CO)5Br |
BrC5MnO5 |
Mn 2p |
mb-0mnll.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
Manganese carbonylbromide |
Mn(CO)5Br |
BrC5MnO5 |
O 1s |
mb-0ookk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
Manganese carbonylhydride |
Mn(CO)5H |
C5HMnO5 |
C 1s |
mc-0cckk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
Manganese carbonylhydride |
Mn(CO)5H |
C5HMnO5 |
O 1s |
mc-0ookk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
Manganese carbonyl |
Mn2(CO)10 |
C10Mn2O10 |
C 1s |
md-0cckk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
Manganese carbonyl |
Mn2(CO)10 |
C10Mn2O10 |
Mn 2p |
md-0mnl3.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
Manganese carbonyl |
Mn2(CO)10 |
C10Mn2O10 |
O 1s |
md-0ookk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
Methane |
CH4 |
CH4 |
C 1s |
me-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
Methoxyalkyd.tricobalt nonacarbonyl |
Co3(CO)9COCH3 |
C11Co3H3O10 |
C 1s |
mf-0cckk.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
Methoxyalkilyd.tricobalt nonacarbonyl |
Co3(CO)9COCH3 |
C11Co3H3O10 |
Co 2p |
mf-0coll.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
Methoxyalkilyd.tricobalt nonacarbonyl |
Co3(CO)9COCH3 |
C11Co3H3O10 |
O 1s |
mf-0ookk.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
methylcyclopentadienylmanganese tricarbonyl |
(CH3C5H4)Mn(CO)3 |
C9H7MnO3 |
C 1s |
mg-0cckk.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
methylcyclopentadienylmanganese tricarbonyl |
(CH3C5H4)Mn(CO)3 |
C9H7MnO3 |
Mn 2p |
mg-0mnl3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
methylcyclopentadienylmanganese tricarbonyl |
(CH3C5H4)Mn(CO)3 |
C9H7MnO3 |
O 1s |
mg-0ookk.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
Trifluoromethylhypofluorite |
CF3OF |
CF4O |
C 1s |
mh-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Trifluoromethylhypofluorite |
CF3OF |
CF4O |
F 1s |
mh-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Trifluoromethylhypofluorite |
CF3OF |
CF4O |
O 1s |
mh-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Methyl isocyanide |
CH3N=C |
C2H3N |
C 1s |
mi-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
Methyl isocyanide |
CH3N=C |
C2H3N |
N 1s |
mi-0nnkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
methanol |
CH3OH |
CH4O |
C 1s |
ml-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
methanol |
CH3OH |
CH4O |
O 1s |
ml-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Methyl mercaptan |
CH3SH |
CH4S |
C 1s |
mm-0cckk.os |
DTH90 |
Chem. Phys. 142 (90) 455. |
Methyl mercaptan |
CH3SH |
CH4S |
S 2p 2s |
mm-0ssll.os |
DTH90 |
Chem. Phys. 142 (90) 455. |
Methyl Norbornene |
CH3-C7H9 |
C8H12 |
C 1s |
mn-0cckk.os |
WH&90 |
Can. J. Chem. 68 (90) 1967. |
Bis(cyclopentyl)magnesium |
(C5H5)2Mg |
C10H10Mg |
C 1s |
mp-0cckk.os |
WRH89 |
|
methyl formate |
HCO2CH3 |
C2H4O2 |
C 1s |
mr-0cckk.os |
IH88 |
J. Electron Spectrosc. 46 (1988) 55. |
methyl formate |
HCO2CH3 |
C2H4O2 |
O 1s |
mr-0ookk.os |
IH88 |
J. Electron Spectrosc. 46 (1988) 55. |
Tetrafluoromethane (or Freon-114) |
CF4 |
CF4 |
C 1s |
mt-0cckk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
Tetrafluoromethane (or Freon-114) |
CF4 |
CF4 |
F 1s |
mt-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
perfluromethyl-methylsulfonate |
CF3SO3CH3 |
C2F3H3O3S |
C 1s |
mu-0cckk.os |
H14 |
Hayes & Hitchcock (unpublished) |
perfluromethyl-methylsulfonate |
CF3SO3CH3 |
C2F3H3O3S |
F 1s |
mu-0ffkk.os |
H14 |
Hayes & Hitchcock (unpublished) |
perfluromethyl-methylsulfonate |
CF3SO3CH3 |
C2F3H3O3S |
O 1s |
mu-0ookk.os |
H14 |
Hayes & Hitchcock (unpublished) |
perfluromethyl-methylsulfonate |
CF3SO3CH3 |
C2F3H3O3S |
S 2p S 2s |
mu-0ssll.os |
H14 |
Hayes & Hitchcock (unpublished) |
methane sulfonic acid |
CH3SO3H |
CH4O3S |
O 1s |
mv-0cckk.os |
H14 |
Hayes & Hitchcock (unpublished) |
methane sulfonic acid |
CH3SO3H |
CH4O3S |
S 2p 2s |
mv-0cckk.os |
H14 |
Hayes & Hitchcock (unpublished) |
methane sulfonic acid |
CH3SO3H |
CH4O3S |
C 1s |
mv-0cckk.os |
H14 |
Hayes & Hitchcock (unpublished) |
Methyl methanesulfonate |
CH3SO3CH3 |
C2H6O3S |
C1s |
mw-0cckk.os |
HH14 |
R. Hayes & A.P. Hitchcock (unpublished) |
Methyl methanesulfonate |
CH3SO3CH3 |
C2H6O3S |
O1s |
mw-0ookk.os |
HH14 |
Hayes & Hitchcock (unpublished) |
Methyl methanesulfonate |
CH3SO3CH3 |
C2H6O3S |
S2p |
mw-0ssll.os |
HH14 |
Hayes & Hitchcock (unpublished) |
Bis(cyclopentadienyl)manganese |
(C5H5)2Mn |
C10H10Mn |
C 1s |
mx-0cckk.os |
HWR89 |
unpublished. |
Methy fluoride |
CH3F |
CFH3 |
C 1s |
my-0cckk.os |
H92a |
Hitchcock (unpublished) |
Methy fluoride |
CH3F |
CFH3 |
F 1s |
my-0ffkk.os |
H92a |
Hitchcock (unpublished) |
Naphthalene |
C10H8 |
C10H8 |
C 1s |
na-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Naphthalene |
C10H8 |
C10H8 |
C 1s |
NA-1CCKK.OS |
GT&03 |
|
Norbornene |
C7H10 |
C7H10 |
C 1s |
nb-0cckk.os |
WH&90 |
Can. J. Chem. 68 (90) 1967. |
bis(12-dicarbollyl)nickel(IV) |
Ni(B9C2H11)2 |
B18C4H22Ni |
B 1s |
nd-0bbkk.os |
HLD91 |
unpublished. |
bBis(12-dicarbollyl)nickel(IV) |
Ni(B9C2H11)2 |
B18C4H22Ni |
C 1s |
nd-0cckk.os |
HLD91 |
unpublished. |
Neon |
Ne |
Ne |
Ne 1s |
ne-0nekk.os |
HB80c |
J. Phys. B 13 (1980) 3269. |
Octafluoronaphthalene(i.e.Perfluoro-) |
C10F8 |
C10F8 |
C 1s |
nf-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
Octafluoronaphthalene(i.e.Perfluoro-) |
C10F8 |
C10F8 |
F 1s |
nf-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
ortho nitro aniline |
o-NO2C6H4NH2 |
C6H6N2O2 |
C 1s |
ng-0cckk.os |
TUH 96 |
Can. J. Chem. 74 (1996) 851. |
ortho nitro aniline |
o-NO2C6H4NH2 |
C6H6N2O2 |
N 1s |
ng-0nnkk.os |
TUH 96 |
Can. J. Chem. 74 (1996) 851. |
ortho nitro aniline |
o-NO2C6H4NH2 |
C6H6N2O2 |
O 1s |
ng-0ookk.os |
TUH 96 |
Can. J. Chem. 74 (1996) 851. |
n-Hexane |
C6H14 |
C6H14 |
C 1s |
nh-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
Nickelocene |
Ni(Cp)2 |
C10NiH10 |
C 1s |
ni-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
nitro benzene |
NO2C6H5 |
C6H5NO2 |
C 1s |
nj-0cckk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
nitro benzene |
NO2C6H5 |
C6H5NO2 |
N 1s |
nj-0nnkk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
nitro benzene |
NO2C6H5 |
C6H5NO2 |
O 1s |
nj-0ookk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
meta nitroaniline |
m-NO2C6H4NH2 |
C6H6N2O2 |
C 1s |
nk-0cckk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
meta nitroaniline |
m-NO2C6H4NH2 |
C6H6N2O2 |
N 1s |
nk-0nnkk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
meta nitroaniline |
m-NO2C6H4NH2 |
C6H6N2O2 |
O 1s |
nk-0ookk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
Trifluoronitrosomethane |
CF3NO |
CF3NO |
C 1s |
nm-0cckk.os |
HIR89 |
Hitchcock (unpublished) |
Trifluoronitrosomethane |
CF3NO |
CF3NO |
F 1s |
nm-0ffkk.os |
HIR89 |
Hitchcock (unpublished) |
Trifluoronitrosomethane |
CF3NO |
CF3NO |
N 1s |
nm-0nnkk.os |
HIR89 |
Hitchcock (unpublished) |
Trifluoronitrosomethane |
CF3NO |
CF3NO |
O 1s |
nm-0ookk.os |
HIR89 |
Hitchcock (unpublished) |
Nitrogen |
N2 |
N2 |
N 1s |
nn-0nnkk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
Nitric Oxide |
NO |
NO |
N 1s |
no-0nnkk.os |
HF15 |
unpublished. |
Nitric Oxide |
NO |
NO |
O 1s |
no-0ookk.os |
HF15 |
unpublished. |
n-pentane |
C5H12 |
C5H12 |
C 1s |
np-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
para nitroaniline |
p-NH2C6H4NO2 |
C6H6N2O2 |
C 1s |
nq-0cckk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
para nitroaniline |
p-NH2C6H4NO2 |
C6H6N2O2 |
N 1s |
nq-0nnkk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
para nitroaniline |
p-NH2C6H4NO2 |
C6H6N2O2 |
O 1s |
nq-0ookk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
n-propane |
C3H8 |
C3H8 |
C 1s |
nr-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
Trifluoroacetonitrile |
CF3CN |
C2F3N |
C 1s |
nt-0cckk.os |
HS90 |
unpublished |
Trifluoroacetonitrile |
CF3CN |
C2F3N |
F 1s |
nt-0ffkk.os |
HS90 |
unpublished |
Trifluoroacetonitrile |
CF3CN |
C2F3N |
N 1s |
nt-0nnkk.os |
HS90 |
unpublished |
1234-tetramethylnaphthalene |
C10H16 |
C10H16 |
C 1s |
ny-0cckk.os |
CH07 |
Unpublished (measured 92-93) |
monofluorobenzene |
c-C6H5F |
C6FH5 |
C 1s |
ob-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
monofluorobenzene |
c-C6H5F |
C6FH5 |
F 1s |
ob-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Cyclooctatetraene |
c-C8H8 |
C8H8 |
C 1s |
oc-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
Oxygen Difluoride |
OF2 |
F2O |
F 1s |
of-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Oxygen Difluoride |
OF2 |
F2O |
O 1s |
of-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
tetraaminoethylene tetramethyl |
C10N4H20 |
C10N4H20 |
1s |
OL-0CCKK.OS |
LU&99 |
Organometallics 18 (1999) 1862 |
tetraaminoethylene tetramethyl |
C10N4H20 |
C10N4H20 |
1s |
OL-ONNKK.OS |
LU&99 |
Organometallics 18 (1999) 1862 |
Oxygen |
O2 |
O2 |
O 1s |
ox-0ookk.os |
HF&93 |
Hitchcock (unpublished) |
Tetrahydropyran |
c-C5H10O |
C5H10O |
C 1s |
pa-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Tetrahydropyran |
c-C5H10O |
C5H10O |
O 1s |
pa-0ookk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Di-t-butylphosphorus chloride |
(C4H9)2PCl |
ClC8H18P |
C 1s |
pb-0cckk.os |
HH&98 |
J. El. Spec. 94 (1998) 187. |
Di-t-butylphosphorus chloride |
(C4H9)2PCl |
ClC8H18P |
all |
pb-0pclc.os |
HH&98 |
J. El. Spec. 94 (1998) 187. |
|
ame: |
ty: |
ition mode: |
|
.388 |
|
Di-t-butylphosphorus chloride |
(C4H9)2PCl |
ClC8H18P |
P 2p |
pb-0ppll.os |
HH&98 |
J. El. Spec. 94 (1998) 187. |
phosphorus trichloride |
(PCl3 |
Cl3P |
P 2p |
pb-0ppmm.os |
HH&98 |
J. El. Spec. 94 (1998) 187 - DIGITIZED |
propene |
C3H6 |
C3H6 |
C 1s |
pc-0cckk.os |
HS90 |
unpublished |
Cyclopentadiene (cp) |
C5H6 |
C5H6 |
C 1s |
pd-0cckk.os |
RWH91 |
J. El. Spec. 57 (91) 137. |
Pentafluorobenzene |
c-C6F5H |
C6F5H |
C 1s |
pf-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Pentafluorobenzene |
c-C6F5H |
C6F5H |
F 1s |
pf-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Propargyl alcohol |
C3H4O |
C3H4O |
C 1s |
pg-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Propargyl alcohol |
C3H4O |
C3H4O |
O 1s |
pg-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Phosgene |
Cl2CO |
CCl2O |
C 1s |
ph-0cckk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
Phosgene |
Cl2CO |
CCl2O |
O 1s |
ph-0ookk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
Piperdine |
c-C5H11N |
C5H11N |
C 1s |
pi-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Piperdine |
c-C5H11N |
C5H11N |
N 1s |
pi-0nnkk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Polyglycol P-390 |
[O-(C3H6)-O]n |
|
C 1s |
pj-0cckk.os |
UP |
|
Polyglycol P-390 |
[O-(C3H6)-O]n |
|
O 1s |
pj-0ookk.os |
UP |
|
12-propanediol |
C3H8O2 |
C3H8O2 |
C 1s |
pk-0cckk.os |
EUH98 |
unpublished |
12-propanediol |
C3H8O2 |
C3H8O2 |
O 1s |
pk-0ookk.os |
EUH98 |
unpublished |
n-Propanol |
CH3CH2CH2OH |
C3H8O |
C 1s |
pl-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
n-Propanol |
CH3CH2CH2OH |
C3H8O |
O 1s |
pl-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
phosphorus trimethyl |
P(CH3)3 |
C3H9P |
P 2p |
pm-0ppl3.os |
HH&98 |
J. El. Spec. 94 (1998) 187 - DIGITIZED |
phosphorus trimethyl |
P(CH3)3 |
Cl3P |
C 1s |
pm_0cckk.os |
HH&98 |
J. El. Spec. 94 (1998) 187 - DIGITIZED |
propionic acid |
CH3CH2COOH |
C2H6O2 |
C 1s |
pn-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
propionic acid |
CH3CH2COOH |
C2H6O2 |
O 1s |
pn-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Pyrrole |
c-C4H5N |
C4H5N |
C 1s |
po-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Pyrrole |
c-C4H5N |
C4H5N |
N 1s |
po-0nnkk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Propiolic acid |
HCCCO2H |
C3H2O2 |
C 1s |
pp-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Propiolic acid |
HCCCO2H |
C3H2O2 |
O 1s |
pp-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
Pyrrolidine |
c-C4H9N |
C4H9N |
C 1s |
pq-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Pyrrolidine |
c-C4H9N |
C4H9N |
N 1s |
pq-0nnkk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Proline |
C5H9NO2 |
C5H9NO2 |
C 1s |
pr-0cckk.os |
JS&08 |
H. Jiang |
Phenyl methyl ketone |
(C6H5)CO(CH3) |
C8H8O |
C1s |
pt-0cckk.os |
HH13 |
R. Hayes |
Phenyl methyl ketone |
(C6H5)CO(CH3) |
C8H8O |
O1s |
pt-0ookk.os |
HH13 |
Hitchcock (unpublished) |
Cyclopentane |
c-C5H10 |
C5H10 |
C 1s |
pu-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
Cyclopentene |
c-C5H8 |
C5H8 |
C 1s |
pv-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
Propyne |
C3H4 |
C3H4 |
C 1s |
pw-0cckk.os |
HS90 |
unpublished |
Bis(trifluoromethyl) peroxide |
CF3OOCF3 |
C2F6O2 |
C 1s |
px-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Bis(trifluoromethyl) peroxide |
CF3OOCF3 |
C2F6O2 |
F 1s |
px-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Bis(trifluoromethyl) peroxide |
CF3OOCF3 |
C2F6O2 |
O 1s |
px-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Pyridine |
c-C5H5N |
C5H5N |
C 1s |
py-0cckk.os |
HS&85 |
J. Chem. Phys. 83 (85) 6099. |
Pyridine |
c-C5H5N |
C5H5N |
N 1s |
py-0nnkk.os |
HS&85 |
J. Chem. Phys. 83 (85) 6099. |
N-Hexylpyruvamide |
C3H5NO2 |
C3H5NO2 |
C1s |
PZ-0CCKK.OS |
UP |
|
14-benzoquinone |
C6H4O2 |
C6H4O2 |
C 1s |
qb-0cckk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
14-benzoquinone |
C6H4O2 |
C6H4O2 |
O 1s |
qb-0ookk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
terephthaloyl chloride |
C6H4-14-(COCl)2 |
C8Cl2H4O2 |
C 1s |
qc-0cckk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
terephthaloyl chloride |
C6H4-14-(COCl)2 |
C8Cl2H4O2 |
O 1s |
qc-0ookk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
Hydroquinone |
C6H4(OH)2 |
C6H6O2 |
C 1s |
qh-0cckk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
Hydroquinone |
C6H4(OH)2 |
C6H6O2 |
O 1s |
qh-0ookk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
Phenol |
C6H5OH |
C6H6O |
C 1s |
qm-0cckk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
Phenol |
C6H5OH |
C6H6O |
O 1s |
qm-0ookk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
Cyclopentyl-rhenium-carbonyl-nitrogen |
Cp*Re(CO)2N2 |
C12H15N2O2Re |
C 1s |
rn-0cckk.os |
HS92 |
unpublished |
Cyclopentyl-rhenium-carbonyl-nitrogen |
Cp*Re(CO)2N2 |
C12H15N2O2Re |
N 1s |
rn-0nnkk.os |
HS92 |
unpublished |
Cyclopentyl-rhenium-carbonyl-nitrogen |
Cp*Re(CO)2N2 |
C12H15N2O2Re |
O 1s |
rn-0ookk.os |
HS92 |
unpublished |
3-Bu-thiophene |
C4H9-C4H4S |
C8H13S |
C 1s |
sb-0cckk.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
3-Bu-thiophene |
C4H9-C4H4S |
C8H13S |
S 2p |
sb-0ssl3.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
hexachlorodisilane |
Cl3SiSiCl3 |
Cl6Si2 |
Cl 2p |
sc-0cll3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
hexachlorodisilane |
Cl3SiSiCl3 |
Cl6Si2 |
Si 2p |
sc-0sil3.os |
W92 |
A.T. Wen Ph.D. thesis (1992). |
3-decyl-thiophene |
C10H21-C4H4S |
C14H25S |
C 1s |
sd-0cckk.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
Selenophene |
c-SeC4H4 |
C4H4Se |
C 1s |
se-0cckk.os |
HTB89 |
Can. J. Chem. 67 (89) 1819. |
Selenophene |
c-SeC4H4 |
C4H4Se |
Se 3d 3p |
se-0sem5.os |
HTB89 |
Can. J. Chem. 67 (89) 1819. |
sulfur hexafluoride |
SF6 |
F6S |
F 1s |
sf-0ffkk.os |
FT&95 |
Phys. Rev. A 52 (1995) 4665 |
Sulfurhexafluoride |
SF6 |
F6S |
S 2s |
sf-0ss2s.os |
FT&95 |
Phys. Rev. A. 52 (1995) 4665. |
Sulfurhexafluoride |
SF6 |
F6S |
S 2s |
sf-0ssl1.os |
FT&95 |
Phys. Rev. A. 52 (1995) 4665. |
Sulfurhexafluoride |
SF6 |
F6S |
S 2p |
sf-0ssl3.os |
HB78c |
Chem. Phys. 33 (78) 55. |
sulfur hexafluoride |
SF6 |
F6S |
S 2p |
sf-0sspp.os |
FT&95 |
Phys. Rev. A 52 (1995) 4665 |
Silicon tetrachloride |
SiCl4 |
Cl4Si |
Cl 2p |
sg-0cll3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
Silicon tetrachloride |
SiCl4 |
Cl4Si |
Si 2p |
sg-0sil3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
3-Hx-thiophene |
C6H13-C4H4S |
C10H17S |
C 1s |
sh-0cckk.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
3-Hx-thiophene |
C6H13-C4H4S |
C10H17S |
S 2p |
sh-0ssl3.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
hexamethyldisilane |
(CH3)3SiSi(CH3)3 |
C6H18Si2 |
C 1s |
si-0cckk.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
hexamethyldisilane |
(CH3)3SiSi(CH3)3 |
C6H18Si2 |
Si 2p |
si-0sil3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
tetrakisttrimethylsilyl-silane |
Si[Si(CH3)3]4 |
C12H36Si5 |
C 1s |
sj-0cckk.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
tetrakisttrimethylsilyl-silane |
Si[Si(CH3)3]4 |
C12H36Si5 |
Si 2p |
sj-0sil3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
sulfurtetrafluoride |
SF4 |
SF4 |
F 1s |
sk-0ffkk.os |
BH87 |
Chem. Phys. 111 (87) 467. |
sulfurtetrafluoride |
SF4 |
SF4 |
S 2p |
sk-0ssl3.os |
BH87 |
Chem. Phys. 111 (87) 467. |
3-Me-selenophene |
CH3-C4H4Se |
C5H7Se |
C 1s |
sm-0cckk.os |
HTB89 |
Can. J. Chem. 67 (89) 1819. |
Carbonyl sulfide |
COS |
COS |
C 1s |
so-0cckk.os |
MH&89 |
Hitchcock (unpublished) |
Carbonyl sulfide |
COS |
COS |
O 1s |
so-0ookk.os |
MH&89 |
Hitchcock (unpublished) |
Carbonyl sulfide |
COS |
COS |
S 2p |
so-0ssl3.os |
MH&89 |
Hitchcock (unpublished) |
Triphenylsilane |
(C6H5)3SiH |
C18H15SiH |
C1s |
sp-0cckk.os |
HH13 |
Hitchcock (unpublished) |
Triphenylsilane |
(C6H5)3SiH |
C18H15SiH |
Si 2p |
sp-0sill.os |
HH13 |
Hitchcock (unpublished) |
hexamethyl disiloxane |
O(SiMe3)2 |
C6H18OSi2 |
C 1s |
ss-0cckk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
hexamethyl disiloxane |
O(SiMe3)2 |
C6H18OSi2 |
O 1s |
ss-0ookk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
hexamethyl disiloxane |
O(SiMe3)2 |
C6H18OSi2 |
Si 2p |
ss-0sill.os |
UT+97 |
Organometallics 16 (1997) 2080. |
3-Et-thiophene |
C2H5-C4H4S |
C6H9S |
C 1s |
st-0cckk.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
3-Et-thiophene |
C2H5-C4H4S |
C6H9S |
S 2p |
st-0ssl3.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
3-octyl-thiophene |
C8H17-C4H4S |
C12H21S |
C 1s |
sx-0cckk.os |
HT&89 |
J. Phys. Chem. 93 (89) 7624. |
3-octyl-thiophene |
C8H17-C4H4S |
C12H21S |
S 2p |
sx-0ssl3.os |
HT&89 |
J. Phys. Chem. 93 (89) 7624. |
tetra-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)4 |
C8H24O4Si4 |
C 1s |
sy-0cckk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
tetra-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)4 |
C8H24O4Si4 |
O 1s |
sy-0ookk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
tetra-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)4 |
C8H24O4Si4 |
Si 2p |
sy-0sill.os |
UT+97 |
Organometallics 16 (1997) 2080. |
Thiophene |
c-C4H4S |
C4H4S |
C 1s |
ta-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
Thiophene |
c-C4H4S |
C4H4S |
S 1s |
ta-0ssl3.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
Tetrafluorobenzene |
c-C6F4H2 |
C6F4H2 |
C 1s |
tb-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Tetrafluorobenzene |
c-C6F4H2 |
C6F4H2 |
F 1s |
tb-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Methylthiocyanide |
CH3SCN |
C2H3NS |
C 1s |
tc-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
Methylthiocyanide |
CH3SCN |
C2H3NS |
N 1s |
tc-0nnkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
Methylthiocyanide |
CH3SCN |
C2H3NS |
S 2p |
tc-0ssl3.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
Cyclopentadienyltitanium trichloride |
C5H5TiCl3 |
C5Cl3H5Ti |
C 1s |
td-0cckk.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
Cyclopentadienyltitanium trichloride |
C5H5TiCl3 |
C5Cl3H5Ti |
Cl 2p |
td-0cll3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
Cyclopentadienyltitanium trichloride |
C5H5TiCl3 |
C5Cl3H5Ti |
Ti 2p |
td-0til3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
Tetrafluoroethene |
CF2CF2 |
C2F4 |
C 1s |
te-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
Tetrafluoroethene |
CF2CF2 |
C2F4 |
F 1s |
te-0ffkk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
135-trifluorobenzene |
c-C6F3H3 |
C6F3H3 |
C 1s |
tf-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
135-trifluorobenzene |
c-C6F3H3 |
C6F3H3 |
F 1s |
tf-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
Titanocene dichloride |
(C5H5)2TiCl2 |
C10Cl2H10Ti |
C 1s |
tg-0cckk.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
Titanocene dichloride |
(C5H5)2TiCl2 |
C10Cl2H10Ti |
Cl 2p |
tg-0cll3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
Titanocene dichloride |
(C5H5)2TiCl2 |
C10Cl2H10Ti |
Ti 2p |
tg-0til3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
Methyl-thio-isocyanide |
CH3SNC |
C2H3NS |
C 1s |
ti-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
Methyl-thio-isocyanide |
CH3SNC |
C2H3NS |
N 1s |
ti-0nnkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
Titanium tetrachloride |
TiCl4 |
Cl4Ti |
Cl 2p |
tj-0cll3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
Titanium tetrachloride |
TiCl4 |
Cl4Ti |
Ti 2p |
tj-0til3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
Tetrahydrofuran |
c-C4H8O |
C4H8O |
C 1s |
tk-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
Tetrahydrofuran |
c-C4H8O |
C4H8O |
O 1s |
tk-0ookk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
t-Butyl alcohol |
C4H9OH |
C4H10O |
C 1s |
tl-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
t-Butyl alcohol |
C4H9OH |
C4H10O |
O 1s |
tl-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
trimer of imidazole |
(C3N2(CN)2)3 |
C15N12 |
C 1s |
tm-0cckk.os |
UP |
|
Tetrafluorohyrazene |
NF2NF2 |
F4N2 |
F 1s |
tn-0ffkk.os |
HIR89 |
Hitchcock (unpublished) |
Tetrafluorohyrazene |
NF2NF2 |
F4N2 |
N 1s |
tn-0nnkk.os |
HIR89 |
Hitchcock (unpublished) |
Toluene |
C7H8 |
C7H8 |
C 1s |
to-0cckk.os |
CH07 |
Unpublished (measured 92-93) |
1-Trimethyl silyl-1 4-pentadyne |
HCCCH2CCSi(CH3)3 |
C8H12Si |
C 1s |
tp-0cckk.os |
HS90 |
unpublished |
1-Trimethyl silyl-14-pentadyne |
HCCCH2CCSi(CH3)3 |
C8H12Si |
Si 2p 2s |
tp-0sill.os |
HS90 |
unpublished |
Terephthaldicarboxaldehyde |
C6H4-14-(CHO)2 |
C8H6O2 |
C 1s |
tq-0cckk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
Terephthaldicarboxaldehyde |
C6H4-14-(CHO)2 |
C8H6O2 |
O 1s |
tq-0ookk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
Trifluoroethylene |
CF2=CHF |
C2F3H |
C 1s |
tr-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Trifluoroethylene |
CF2=CHF |
C2F3H |
F 1s |
tr-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Trifluoromethane |
CF3H |
CF3H |
C 1s |
ty-0cckk.os |
HN86 |
Hitchcock (unpublished) |
Trifluoromethane |
CF3H |
CF3H |
F 1s |
ty-0ffkk.os |
HN86 |
Hitchcock (unpublished) |
s-triazine |
C3N3H3 |
C3H3N3 |
C 1s |
tz-0cckk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
s-triazine |
C3N3H3 |
C3H3N3 |
N 1s |
tz-0nnkk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
trimethylmethoxy silane |
Me3SiOMe |
C4H12OSi |
C 1s |
ua-0cckk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
trimethylmethoxy silane |
Me3SiOMe |
C4H12OSi |
O 1s |
ua-0ookk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
trimethylmethoxy silane |
Me3SiOMe |
C4H12OSi |
Si 2p |
ua-0sill.os |
UT+97 |
Organometallics 16 (1997) 2080. |
triethylsilanol |
Et3SiOH |
C6H16OSi |
C 1s |
uc-0cckk.os |
UH94a |
unpublished |
tri-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)3 |
C6H18O3Si3 |
C 1s |
ud-0cckk.os |
UH94a |
unpublished |
tri-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)3 |
C6H18O3Si3 |
O 1s |
ud-0ookk.os |
UH94a |
unpublished |
tri-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)3 |
C6H18O3Si3 |
Si 2p |
ud-0sill.os |
UH94a |
unpublished |
tetrakis(dimethylamino)silane |
Si[NMe2]4 |
C8H24N4Si |
C 1s |
ue-0cckk.os |
UH94b |
unpublished |
tetrakis(dimethylamino)silane |
Si[NMe2]4 |
C8H24N4Si |
N 1s |
ue-0nnkk.os |
UH94b |
unpublished |
tetrakis(dimethylamino)silane |
Si[NMe2]4 |
C8H24N4Si |
Si 2p |
ue-0sill.os |
UH94b |
unpublished |
tris(trimethyl silyl)amine |
N[SiMe3]3 |
C9H27NSi3 |
C 1s |
uf-0cckk.os |
UH94b |
unpublished |
tris(trimethyl silyl)amine |
N[SiMe3]3 |
C9H27NSi3 |
N 1s |
uf-0nnkk.os |
UH94b |
unpublished |
tris(trimethyl silyl)amine |
N[SiMe3]3 |
C9H27NSi3 |
Si 2p |
uf-0sill.os |
UH94b |
unpublished |
dimethylamino trimethylsilane |
Me3Si[NMe2] |
C5H15NSi |
C 1s |
ug-0cckk.os |
UH94b |
unpublished |
dimethylamino trimethylsilane |
Me3Si[NMe2] |
C5H15NSi |
N 1s |
ug-0nnkk.os |
UH94b |
unpublished |
dimethylamino trimethylsilane |
Me3Si[NMe2] |
C5H15NSi |
Si 2p |
ug-0sill.os |
UH94b |
unpublished |
silyl triflate |
Me3SiOSO2CF3 |
C4F3H9O3SSi |
C 1s |
uh-0cckk.os |
UH94a |
unpublished |
silyl triflate |
Me3SiOSO2CF3 |
C4F3H9O3SSi |
Si 2p |
uh-0sill.os |
UH94a |
unpublished |
tetramethylsilane |
Me4Si |
C4H12Si |
C 1s |
ui-0cckk.os |
UX+94 |
Chem. Phys. 189 (1994) 757. |
tetramethylsilane |
Me4Si |
C4H12Si |
Si 2p |
ui-0sill.os |
UX+94 |
Chem. Phys. 189 (1994) 757. |
bis(dimethylamino)dimethylsilane |
Me2Si[NMe2]2 |
C6H16N2Si |
C 1s |
uj-0cckk.os |
UH&94b |
unpublished |
bis(dimethylamino)dimethylsilane |
Me2Si[NMe2]2 |
C6H16N2Si |
N 1s |
uj-0nnkk.os |
UH&94b |
unpublished |
bis(dimethylamino)dimethylsilane |
Me2Si[NMe2]2 |
C6H16N2Si |
Si 2p |
uj-0sill.os |
UH&94b |
unpublished |
tris(dimethylamino)methyl silane |
MeSi[NMe2]3 |
C7H18N3Si |
C 1s |
uk-0cckk.os |
UH&94b |
unpublished |
tris(dimethylamino)methyl silane |
MeSi[NMe2]3 |
C7H18N3Si |
N 1s |
uk-0nnkk.os |
UH&94b |
unpublished |
tris(dimethylamino)methyl silane |
MeSi[NMe2]3 |
C7H18N3Si |
Si 2p |
uk-0sill.os |
UH&94b |
unpublished |
paracarborane |
p-C2B10H12 |
B10C2H12 |
B 1s |
ul-0bbkk.os |
HU+96 |
J. Phys. Chem. B. 101 (1996) 3483. |
paracarborane |
p-C2B10H12 |
B10C2H12 |
C 1s |
ul-0cckk.os |
HU+96 |
J. Phys. Chem. B. 101 (1996) 3483. |
dimethyl phthalate |
C6H4-12-(CO2CH3)2 |
C10H10O4 |
C 1s |
um-0cckk.os |
UH&97a |
J. Phys. Chem. B. 101 (1997) 2267. |
dimethyl phthalate |
C6H4-12-(CO2CH3)2 |
C10H10O4 |
O 1s |
um-0ookk.os |
UH&97a |
J. Phys. Chem. B. 101 (1997) 2267. |
dimethyl isophthalate |
C6H4-13-(CO2CH3)2 |
C10H10O4 |
C 1s |
un-0cckk.os |
UH&97a |
J. Phys. Chem. B. 101 (1997) 2267. |
dimethyl isophthalate |
C6H4-13-(CO2CH3)2 |
C10H10O4 |
O 1s |
un-0ookk.os |
UH&97a |
J. Phys. Chem. B. 101 (1997) 2267. |
silylene |
Si(NtBuCH=CHNtBu) |
C10H20N2Si |
C 1s |
uo-0cckk.os |
UH&98 |
Organometallics 17 (1998) 2352. |
silylene |
Si(NtBuCH=CHNtBu) |
C10H20N2Si |
N 1s |
uo-0nnkk.os |
UH&98 |
Organometallics 17 (1998) 2352. |
silylene |
Si(NtBuCH=CHNtBu) |
C10H20N2Si |
Si 2p |
uo-0sill.os |
UH+98 |
Organometallics 17 (1998) 2352. |
TDI bis methyl urethane |
2? (MeO2CNH)2Ph-Me |
C11H13N2O4 |
C 1s |
up-0cckk.os |
GC&03 |
|
TDI bis methyl urethane |
2? (MeO2CNH)2Ph-Me |
C11H13N2O4 |
N 1s |
up-0nnkk.os |
UHR99 |
|
TDI bis methyl urethane |
2? (MeO2CNH)2Ph-Me |
C11H13N2O4 |
O 1s |
up-0ookk.os |
GC&03 |
|
unsaturated SiH2 silylene |
H2Si(NtBuCH=CHNtBu) |
C10H22N2Si |
C 1s |
uq-0cckk.os |
UH&98 |
Organometallics 17 (1998) 2352. |
unsaturated SiH2 silylene |
H2Si(NtBuCH=CHNtBu) |
C10H22N2Si |
N 1s |
uq-0nnkk.os |
UH&98 |
Organometallics 17 (1998) 2352. |
unsaturated SiH2 silylene |
H2Si(NtBuCH=CHNtBu) |
C10H22N2Si |
Si 2p |
uq-0sill.os |
UH&98 |
Oranometallics 17 (1998) 2352. |
Urea |
(NH2)2C=O |
CH4N2O |
C 1s |
ur-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
Urea |
(NH2)2C=O |
CH4N2O |
N 1s |
ur-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
Urea |
(NH2)2C=O |
CH4N2O |
O 1s |
ur-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
saturated SiH2 silylene |
H2Si(NtBuCH2CH2NtBu) |
C10H24N2Si |
C 1s |
us-0cckk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
saturated SiH2 silylene |
H2Si(NtBuCH2CH2NtBu) |
C10H24N2Si |
N 1s |
us-0nnkk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
saturated SiH2 silylene |
H2Si(NtBuCH2CH2NtBu) |
C10H24N2Si |
Si 2p |
us-0sill.os |
UH+98 |
Organometallics 17 (1998) 2352. |
saturated silylene |
Si(NtBuCH2CH2NtBu) |
C10H22N2Si |
C 1s |
ut-0cckk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
saturated silylene |
Si(NtBuCH2CH2NtBu) |
C10H22N2Si |
N 1s |
ut-0nnkk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
saturated silylene |
Si(NtBuCH2CH2NtBu) |
C10H22N2Si |
Si 2p |
ut-0sill.os |
UH+98 |
Organometallics 17 (1998) 2352. |
1-azido adamantane |
N3-C915 |
C9H15N3 |
C 1s |
uu-0cckk.os |
UP |
UP |
1-azido adamantane |
N3-C915 |
C9H15N3 |
N 1s |
uu-0nnkk.os |
UP |
UP |
azido trimethylsilane |
(CH3)3Si-N3 |
C3H9N3Si |
C 1s |
uw-0cckk.os |
UP |
|
azido trimethylsilane |
(CH3)3Si-N3 |
C3H9N3Si |
N 1s |
uw-0nnkk.os |
UP |
|
trimethylsilyloxy-N=CMe2 |
Me3SiON=C(Me)2 |
C6H18NOSi |
C 1s |
ux-0cckk.os |
UH&94b |
unpublished |
trimethylsilyloxy-N=CMe2 |
Me3SiON=C(Me)2 |
C6H18NOSi |
O 1s |
ux-0ookk.os |
UH&94b |
unpublished |
trimethylsilyloxy-N=CMe2 |
Me3SiON=C(Me)2 |
C6H18NOSi |
Si 2p |
ux-0sill.os |
UH+94b |
unpublished |
tolylene 24 diisocyanate |
CH3C6H3(NCO)2 |
C9H6N2O2 |
C 1s |
uy-0cckk.os |
UHR99 |
|
tolylene 24 diisocyanate |
CH3C6H3(NCO)2 |
C9H6N2O2 |
N 1s |
uy-0nnkk.os |
UHR99 |
|
tolylene 24 diisocyanate |
CH3C6H3(NCO)2 |
C9H6N2O2 |
O 1s |
uy-0ookk.os |
UHR99 |
|
n-methyl aniline |
CH3NH-C6H5 |
C7H9N |
C 1s |
uz-0cckk.os |
UH96 |
unpublished |
n-methyl aniline |
CH3NH-C6H5 |
C7H9N |
N 1s |
uz-0nnkk.os |
UH96 |
unpublished |
DABCO 14diazabicyclo[222]octane |
C6H12N2 |
C6H12N2 |
C 1s |
va-0cckk.os |
RUH95 |
unpublished |
DABCO 14diazabicyclo[222]octane |
C6H12N2 |
C6H12N2 |
N 1s |
va-0nnkk.os |
RUH95 |
unpublished |
tolylene 2 6 diisocyanate |
CH3C6H3(NCO2) |
C9H6N2O2 |
C 1s |
vb-0cckk.os |
UHR99 |
unpublished |
tolylene 26 diisocyanate |
CH3C6H3(NCO2) |
C9H6N2O2 |
N 1s |
vb-0nnkk.os |
UHR99 |
unpublished |
tolylene 2 6 diisocyanate |
CH3C6H3(NCO2) |
C9H6N2O2 |
O 1s |
vb-0ookk.os |
UHR99 |
unpublished |
dimethyltetrafluorobenzeocyclobutane |
C10H8F4 |
C10F4H8 |
C 1s |
ve-0cckk.os |
UH96 |
unpublished |
Vinylfluoride |
CH2CHF |
C2FH3 |
C 1s |
vf-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Vinylfluoride |
CH2CHF |
C2FH3 |
F 1s |
vf-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
1234-tetrahydro-1-naphthyl-amine |
C10H12N |
C10H12N |
C 1s |
vg-0cckk.os |
UP |
|
1234-tetrahydro-1-naphthyl-amine |
C10H12N |
C10H12N |
N 1s |
vg-0nnkk.os |
UP |
|
o-xylene |
Me-Ph-Me |
C8H10 |
C 1s |
vh-0cckk.os |
EH&98 |
J. El. Spec. 94 (1998) 243. |
m-xylene |
Me-Ph-Me |
C8H10 |
C 1s |
vi-0cckk.os |
EH&98 |
J. El. Spec. 94 (1998) 243. |
p-xylene |
Me-Ph-Me |
C8H10 |
C 1s |
vj-0cckk.os |
EH&98 |
J. El. Spec. 94 (1998) 243. |
Benzoic Anhydride |
C14H10O3 |
C14H10O3 |
C 1s |
vk-0cckk.os |
LUH97 |
unpublished |
anisole |
Ph-O-Me |
C7H8O |
C 1s |
vl-0cckk.os |
UHR97 |
unpublished |
anisole |
Ph-O-Me |
C7H8O |
O 1s |
vl-0ookk.os |
UHR97 |
unpublished |
Carbene saturated H2(methyl) |
C5H12N2 |
C5H12N2 |
N 1s |
vm-0nnkk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Vinyl benzoate |
C9H8O2 |
C9H8O2 |
C 1s |
vn-0cckk.os |
LUH97 |
unpublished |
Vinyl benzoate |
C9H8O2 |
C9H8O2 |
O 1s |
vn-0ookk.os |
LUH97 |
unpublished |
trimethylethoxysilane |
(CH3)3Si(OC2H5) |
C5H14OSi |
C1s |
VQB-0CCKK.OS |
TC&02 |
|
trimethylethoxysilane |
(CH3)3Si(OC2H5) |
C5H14OSi |
01s |
VQB-0OOKK.OS |
TC&02 |
|
trimethylethoxysilane |
(CH3)3Si(OC2H5) |
C5H14OSi |
Si2p 2s |
VQB-0SILL.OS |
TC&02 |
|
vinyltriacetoxysilane |
CH2=CHSi(OOCCH3)3 |
C8H12O3Si |
C1s |
VR-0CCKK.OS |
TC&02 |
|
vinyltriacetoxysilane |
CH2=CHSi(OOCCH3)3 |
C8H12O3Si |
O1s |
VR-0OOKK.OS |
TC&02 |
|
vinyltriacetoxysilane |
CH2=CHSi(OOCCH3)3 |
C8H12O3Si |
Si2p 2s |
VR-0SILL.OS |
TC&02 |
|
vinyltriethoxysilane |
CH2=CHSi(OC2H5)3 |
C8H18O3Si |
C1s |
VS-0CCKK.OS |
TC&02 |
|
vinyltriethoxysilane |
CH2=CHSi(OC2H5)3 |
C8H18O3Si |
O1s |
VS-0OOKK.OS |
TC&02 |
|
vinyltriethoxysilane |
CH2=CHSi(OC2H5)3 |
C8H18O3Si |
Si2p 2s |
VS-0SILL.OS |
TC&02 |
|
butylated-hydroxytoluene |
t-(Bu)2-Me-Bz-OH |
C15H24O |
C 1s |
vt-0cckk.os |
LUH97 |
unpublished |
butylated-hydroxytoluene |
t-(Bu)2-Me-Bz-OH |
C15H24O |
O 1s |
vt-0ookk.os |
LUH97 |
unpublished |
Vanadocene dichloride |
(C5H5)2VCl2 |
C10Cl2H10V |
C 1s |
vv-0cckk.os |
LCH03 |
unpublished |
Carbene saturated #2 |
C11H24N2 |
C11H24N2 |
C 1s |
vw-0cckk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Carbene saturated #2 |
C11H24N2 |
C11H24N2 |
N 1s |
vw-0nnkk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Carbene Unsaturated |
C11H20N2 |
C11H20N2 |
C 1s |
vy-0cckk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Carbene Unsaturated |
C11H20N2 |
C11H20N2 |
N 1s |
vy-0nnkk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Carbene saturated |
C11H20N2 |
C11H20N2 |
C 1s |
vz-0cckk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Carbene saturated |
C11H20N2 |
C11H20N2 |
N 1s |
vz-0nnkk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
Water |
H2O |
H2O |
O 1s |
wa-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
Dimethyl cyclobutene |
C6H10 |
C6H10 |
C 1s |
ya-0cckk.os |
EL&98 |
unpublished |
cis-tetramethylcyclobutene |
C8H14 |
C8H14 |
C 1s |
yc-0cckk.os |
EL&98 |
unpublished |
111-trifluoropropyne |
CF3CCH |
C3F3H |
C 1s |
yf-0cckk.os |
HS90 |
unpublished |
111-trifluoropropyne |
CF3CCH |
C3F3H |
F 1s |
yf-0ffkk.os |
HS90 |
unpublished |
NNN-tritolyl isocyanurate |
C24H21N3O3 |
C24H21N3O3 |
C 1s |
YI-0CCKK.OS |
UA&99 |
|
NN-di(t-butyl)ethylenediamine |
C10H24N2 |
C10H24N2 |
C 1s |
yl-0cckk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
NN-di(t-butyl)ethylenediamine |
C10H24N2 |
C10H24N2 |
N 1s |
yl-0nnkk.os |
LU&99 |
Organometallics 18 (1999) 1862 |
trans-tetramethylcyclobutene |
C8H14 |
C8H14 |
C 1s |
yt-0cckk.os |
EL&98 |
unpublished |
Phthalocyanine |
C32H16N8 |
C32H16N8 |
C 1s |
zc-0cckk.os |
RSH93 |
unpublished |
iron-phthalocyanine |
Fe-C32H16N8 |
C32H16N8Fe |
C 1s |
zf-0cckk.os |
RSH93 |
unpublished |
nickel-phthalocyanine |
Ni-C32H16N8 |
C32H16NiN8 |
C 1s |
zn-0cckk.os |
RSH93 |
unpublished |
nickel-phthalocyanine |
Ni-C32H16N8 |
C32H16NiN8 |
N 1s |
zn-0nnkk.os |
RSH93 |
unpublished |
zinc-phthalocyanine |
Zn-C32H16N8 |
C32H16N8Zn |
C 1s |
zz-0cckk.os |
RSH93 |
unpublished |
REFERENCES
Corex code |
Yyyynn& code |
Reference |
H19 |
2019H |
A.P. Hitchcock (2019) unpublishd. (CCl2F2, C2F2H4 ? C1s, F1s,
Cl2p) |
AHG93 |
1993AHG |
E. Apen, A.P. Hitchcock and J.L. Gland, Experimental Studies
of the Core Excitation of Imidazole, 4,5 Dicyanoimidazole and
s-Triazine, J. Phys. Chem. 97 (1993) 6859-6866. |
BH87 |
1987BH |
S. Bodeur and A.P. Hitchcock, Inner and Valence Shell Excitation
of SF4 Studied by Photoabsorption and Electron Energy Loss Spectroscopy,
Chem. Phys. 111 (1987) 467-479. |
CG04 |
2004 G& |
G. Cooper, M. Gordon, D.Tulumello, C.C. Turci, K. Kaznatcheev
and A.P. Hitchcock, Inner shell excitation of glycine, glycyl-glycine,
alanine and phenylalanine, J. Electron Spectroscopy 137-140 (2004)
795-799. |
CH07 |
2007CH |
G. Cooper and A.P. Hitchcock, (2007) unpublished. (7H8, C10H8
C1s) |
DG&86 |
1986DG& |
J.P. Doering, A. Gedanken, A.P. Hitchcock, P. Fischer, J. Moore,
J.K. Olthoff, J. Tossell, K. Raghavachari and M.B. Robin, Electronic
Excitation and ??Electron Interaction in Borazine, J. Am. Chem.
Soc. 108 (1986) 3602?3608. |
DTH90 |
1990DTH |
C. Dezarnaud, M. Tronc and A.P. Hitchcock, Inner Shell Spectroscopy
of the-Carbon-Sulfur bond, Chemical Physics 142 (1990) 455-462. |
EA&91 |
1991EA& |
F.J. Esposto, P. Aebi, T. Tyliszczak, A.P. Hitchcock, M. Kasrai,
J.D. Bozek, T.E. Jackman and S.R. Rolfe, Boron K-shell spectroscopy
of boron-doped silicon, J. Vac. Sci. Tech. A 9 (1991) 1663-1669 |
EH+98 |
1998EH& |
I.G. Eustatiu, B. Huo, S.G. Urquhart and A.P. Hitchcock, Isomeric
Sensitivity of the C 1s spectra of xylenes, J. Electron Spectrosc.
94( 1998) 243-252. |
EL+98 |
1998EL& |
L.E. Ennis, J.F. Lehmann, A.P Hitchcock, B. Cook and W.J. Leigh,
(1998) unpublished. (C6H10, C8H14 - C1s) |
EU&98 |
1998EU&b |
L.E. Ennis, S.G. Uruquhart and A.P Hitchcock, (1998) unpublished.
(C2H6O2,C3H8O2 - C1s, O1s) |
EUH98 |
1998EU&c |
L.E. Ennis, S.G. Uruquhart and A.P Hitchcock, (1998) unpublished.
(C2H6O2,C3H8O2 - C1s, O1s) |
FH15 |
|
Not in BIB-16 (Francis& Hitchcock ??) |
FH92 |
1992FH |
J.T. Francis and A.P. Hitchcock, Inner-shell Spectroscopy of
p-Benzoquinone, 1,3-cyclohexandione, p-Hydroxyquinone and Phenol:
Quinoid versus Aromaticity as Viewed by the Unoccupied Orbitals,
J. Phys. Chem. 96 (1992) 6598-6610. |
FH94 |
1994FH |
J.T. Francis and A.P. Hitchcock, Distinguishing Keto and Enol
Structures by Inner-shell Spectroscopy, J. Phys. Chem. 98 (1994)
3650-3657 |
FT+95 |
1995FT& |
J.T. Francis, C.C. Turci, T. Tyliszczak, G.G.B. de Souza, N.
Kosugi and A.P. Hitchcock, Electron impact core excitation of
SF6: Part I: S 2p, S 2s and F 1s spectroscopy, Phys. Rev. A 52
(1995) 4665-4677. |
GC&03 |
2003GC& |
M.L. Gordon, G. Cooper, C. Morin, T. Araki, C.C. Turci, K. Kaznatcheev,
and A. P. Hitchcock, Inner shell spectroscopy of the peptide bond:
comparison of the C 1s, N 1s and O 1s spectra of glycine, glycyl-glycine
and glycyl-glycyl-glycine, J. Phys. Chem A 107 (2003) 6144-6159. |
GC&04 |
2004CG& |
G. Cooper, M. Gordon, D.Tulumello, C.C. Turci, K. Kaznatcheev
and A.P. Hitchcock, Inner shell excitation of glycine, glycyl-glycine,
alanine and phenylalanine, J. Electron Spectroscopy 137-140 (2004)
795-799 |
GH01 |
2001GH |
M.L. Gordon and A.P. Hitchcock, unpublished (C3H6NO2, C8H9NO2
- C1s, N1s, O1s |
GT&03 |
2003GT& |
M.L. Gordon, D.Tulumello, G. Cooper, A.P. Hitchcock, P. Glatzel,
S.P. Cramer, O.C. Mullins and U.. Bergmann, Inner shell excitation
spectroscopy of fused aromatic molecules by electron energy loss
and X-ray Raman techniques, J. Phys. Chem. A 107 (2003) 8512-8520 |
H13 |
2013H |
Not in BIB-16 |
|
|
A.P. Hitchcock, unpublished ( C2ClF3 ? Cl2p, C1s, F1s) - CHECK |
H14 |
2014H |
Ethylene (ed) should be MC&87 |
H90a |
1990H |
A.P. Hitchcock, Core Excitation and Ionization of Molecules,
Physica Scripta T31 (1990) 159-170. |
H91 |
2091H |
A.P. Hitchcock, unpublished) (C6H6, C6H8, 1,4-C6H10, 1,3-C6H10,
C6H12-C1s) (see also HR89) |
H92a |
2092H |
A.P. Hitchcock, unpublished. (C2Cl3H, C2Cl2H4 - C1s, Cl2p; C7H5N
- C1s, N1s; NO - N1s) |
HB77 |
1977HB |
A.P. Hitchcock and C.E. Brion, Carbon K?Shell Excitation of
C2H2, C2H4, C2H6 and C6H6 by 2.5 KeV Electron Impact, J. Electron
Spectroscopy 10 (1977) 317?330. |
HB78c |
1978HB |
A.P. Hitchcock and C.E. Brion, Inner Shell Excitation of SF6
by 2.5 keV Electron Impact, Chemical Physics 33 (1978) 55?64. |
HB80a |
1980HBa |
A.P. Hitchcock and C.E. Brion, K?Shell Excitation Spectra of
CO, N2 and O2, J. Electron Spectroscopy 18 (1980) 1?21. |
HB80c |
1980HBb |
A.P. Hitchcock and C.E. Brion, Neon K?Shell Excitation by Electron
Energy Loss Spectroscopy, J. Phys. B: Atomic and Molecular Physics
13 (1980) 3269?3273. |
HB&84 |
1984HB& |
A.P. Hitchcock, S. Beaulieu, T. Steel, J. Sthr and F. Sette,
Carbon K?Shell Electron Energy Loss Spectra of 1? and 2?Butenes,
trans?1,3?Butadiene and Perfluoro?2?Butene, J. Chem. Phys. 80
(1984) 3927?3935. |
HD&91 |
1991HD& |
A.P. Hitchcock, R.S. DeWitte, J. Van Esbroeck, P. Aebi, C.L.
French, N.P.C. Westwood and R.T. Oakley, A valence and inner-shell
electronic and photoelectron spectroscopy study of the frontier
orbitals of 2,1,3-Benzothiadiazole C6H4SN2, 1,3,2,4-benzodithiadiazepine
C6H4S2N2 and 1,3,5,2,4-benzotrithiadiazepine C6H4S3N2, J. Electron
Spectroscopy 57 (1991) 165-187. |
HF&87 |
1987HF& |
A.P. Hitchcock, P. Fischer, A. Gedanken and M.B. Robin, Antibonding
s* Valence MO's in the Inner-Shell and Outer-Shell Spectra of
the Fluorobenzenes, J. Phys. Chem. 91 (1987) 531-540. |
HF&93 |
1993HF& |
A.P. Hitchcock, J.T. Francis, S.G. Urquhart, W. Leigh, E. Ruhl
and N. Kosugi, unpublished. (O2 - O1s singlet excited state) |
HF15 |
2015HF |
A.P. Hitchcock and ???, unpublished (NO ? N1s, O1s ? rerun as
earlier were wrong) |
HH+98 |
1998HH& |
C.W. Hutchings, A.P. Hitchcock, A.T. Wen, S-D. Hwang, J.A. Glass,
J T. Spencer, Y.-F. Hu, G.M. Bancroft and P.A. Dowben, Valence
Band Photoemission and Near Edge Core Excitation Spectroscopy
of Di-t-butylchlorophosphine, J. Electron Spectrosc. 94 (1998)
187-194. |
HH13 |
2013HH |
R. Hayes, A.P. Hitchcock (unpublished). (C8H8O - C6H5)CO(CH3)
C1s, O1s) |
HH14 |
2014HH |
R. Hayes, A.P. Hitchcock (unpublished). (C2H6O2S, CH4O3S-C1s,
O1s, S2p;C2F3H3O3S-C1s, F1s, O1s, S2p) |
HI87 |
1987HI |
A.P. Hitchcock and I. Ishii, Carbon K?Shell Excitation Spectra
of Linear and Branched Alkanes, J. Electron Spectrosc. 42 (1987)
11?26. |
HI88a |
1988HI |
A.P. Hitchcock and I. Ishii, unpublished. (C5H8O-C1s,O1s; C10H16
(adamantine)-C1s; C10F16-C1s,F1s (perfluoro-adamantine); CH3CCH,
C10H22O-C1s (decyl alcohol), C5H10O - tetrahydropyran) |
HIR89 |
1989HIR |
A.P. Hitchcock, I. Ishii and M.B. Robin, unpublished (N2H4-N1s;
N2F4 - N1s, F1s; CF3NO-C1s,N1s, O1s,F1s) |
HLD91 |
1991HLD |
A.P. Hitchcock, S. Lee and P.T. Dowben, (1991) unpublished.
(B5C19FeH17O2P, B5C12H18P - B1s, C1s, Fe2p,3p, P2p) |
HM&93 |
1993HM& |
A.P. Hitchcock, M.J. McGlinchey, A.L. Johnson, W.K. Walter,
M. Perez Jigato, D.A. King, D.L. Norman, E. Rhl, C. Heinzel,
H. Baumgrtel, Inner-shell Excitation of Solid and Gaseous Alkylidyne
Tricobalt Nonacarbonyl Complexes: An Investigation of the Spectral
Dependence on Sample Phase, Excitation Probe and Detection Scheme,
Trans. Faraday Soc. 89 (1993) 3331-3345. |
HN&86 |
1986HN& |
A.P. Hitchcock, D.C. Newbury, I. Ishii, J. Sthr, J.A. Horsley,
R.D. Redwing, A.L. Johnson and F. Sette, Carbon K?shell Excitation
of Gaseous and Condensed Cyclic Hydrocarbons: C3H6, C4H8, C5H8,
C5H10, C6H10, C6H12 and C8H8, J. Chem. Phys. 85 (1986) 4849?4862. |
HN86 |
1986HN |
A.P. Hitchcock and D.C. Newbury, (1986) unpublished. (CHF3 -
C1s, F1s) |
HU+96 |
1997HU& |
A.P. Hitchcock, S.G. Urquhart, A.T. Wen, A.L.D. Kilcoyne, T.
Tyliszczak, E. Rhl, N. Kosugi, J.D. Bozek, J.T. Spencer, D.N.
McIlroy and P.A. Dowben, Inner?shell excitation spectroscopy of
closo-carboranes, J. Phys. Chem.B 101 (1997) 3483-3493. |
HR89 & H91 |
1989HR |
A.P. Hitchcock and E. Rhl, ?Near Edge Spectroscopy of Free
Molecules?, Proc. XAFS 5, Physica B 158 (1989) 403-404 |
HS&84 |
FIXED in the 2 FY files |
Unpublished (perfluoro-butyne |
|
|
ACTUALLY should be HB&84 !! |
HS&85 |
1985HS& |
A. Horsley, J. Sthr, A.P. Hitchcock, D.C. Newbury, A.L. Johnson
and F. Sette, Resonances in the K?shell Excitation Spectra of
Benzene and Pyridine: Gas Phase, Solid and Chemisorbed States,
J. Chem. Phys. 83 (1985) 6099?6107. |
HS90 |
1990HS |
A.P. Hitchcock and J. Sthr, unpublished. (C3H4, C3H6, C3F3H,
C2F3N, C6H6, C7H8 - C1s; C8H12Si - C1s, Si2p) |
HS92 |
1992HD |
A.P. Hitchcock and D. Sutton, unpublished. (C12H15N2O2Re - Cp*Re(CO)2N2
- C1s, N1s, O1s, Re4f) |
HT&89 |
1989HW& |
A.P. Hitchcock, G.P. Williams, R Garrett and G. Tourillon, C
1s Excitation of Azulene and poly-Azulene Studied by Electron
Energy-loss and X-ray Absorption Spectroscopy, J. Phys. Chem.
93 (1989) 7624-7628. |
HT&90 |
1990HT& |
A.P. Hitchcock, G. Tourillon, R. Garrett, G.P. Williams, C.
Mahatsekake and C. Andrieu, Inner-shell Excitation of 3-Alkyl
Thiophenes by Electron Energy Loss and X-ray Photoabsorption Spectroscopy,
J. Phys. Chem. 94 (1990) 2327-2333 |
HTB89 |
1989HTB |
A.P. Hitchcock, G. Tourillon and W. Braun, Inner-shell Excitation
Studies of Conducting Organic Polymers: Selenophene, 3-methyl
Selenophene and Their Polymers, Canadian Journal of Chemistry
67 (1989) 1819-1826. |
HTM89 |
1989HTM |
A.P. Hitchcock, M. Tronc and A. Modelli, Electron Transmission
and Inner-shell Electron Energy Loss Spectroscopy of CH3CN, CH3NC,
CH3SCN and CH3NCS, J. Phys. Chem. 93 (1989) 3068-3077. |
HUR92 |
1992HUR |
A.P. Hitchcock, S.G. Urquhart and E.G. Rightor, Inner-shell
Excitation Studies of Poly(ethyleneterephthalate) and Related
Small Molecule Analogues by Electron Energy Loss Spectroscopy,
J. Phys. Chem. 96 (1992) 8736-8750. |
HW&91 |
1991HW& |
A.P. Hitchcock, A.T. Wen, S.G. Urquhart and E. Rightor, (1991)
unpublished (C3H6O3, C12H10O3 - C1s,O1s) |
HW&93 |
1993HW& |
A.P. Hitchcock, A.T. Wen, S. Lee, J.A. Glass, Jr., J.T. Spencer
and P.A. Dowben, Inner-shell Excitation of Boranes and Carboranes,
J. Phys. Chem. 97 (1993) 8171-8181. |
HWR89 |
1989HWR |
A.P. Hitchcock, A.T. Wen and E. Ruhl, (1989) unpublished. (M(Cp)2
- V,Cr,Mn - C1s) |
IH87 |
1987IH |
I. Ishii and A.P. Hitchcock, A Quantitative Experimental Study
of the Core Excited Electronic States in Formamide, Formic Acid
and Formyl Fluoride, J. Chem. Phys. 87 (1987) 830?839. |
IH88 |
1988IH |
I. Ishii and A.P. Hitchcock, The Oscillator Strengths for Cls
and Ols Excitation of Some Saturated and Unsaturated Organic Acids,
Alcohols and Esters, J. Electron Spectrosc. 46 (1988) 55-84. |
IM&88 |
1988IM& |
I. Ishii, R. McLaren, A.P. Hitchcock, K.D. Jordan, H. Choi and
M.B. Robin, The ?* Molecular Orbitals of Perfluoroalkanes as Studied
by Inner Shell Electron Energy Loss and Electron Transmission
Spectroscopies, Can. J. Chem. 66 (1988) 2104-2121. |
JS&08 |
2008JS& |
H. Jiang, J. Stewart-Ornstein, G. Cooper and A.P. Hitchcock,
Inner Shell Excitation Spectroscopy of Amino Acids and Peptides:
Part I - Selected Amino Acids, J. Phys. Chem A (in preparation) |
HI87 |
1987HI |
A.P. Hitchcock and I. Ishii, Carbon K?Shell Excitation Spectra
of Linear and Branched Alkanes, J. Electron Spectrosc. 42 (1987)
11?26 |
LU&99 |
1999LU&a |
J.F. Lehmann, L. Ennis, A.P. Hitchcock, S.G. Urquhart, K. Hatano,
S. Gupta and M.K. Denk, Organometallics 18 (1999) 1862. (C10GeH20N2,
C10GeH22N2, C10GeH24N2 ? C1s, Ge3p, N1s; C10H20N2Si, C10H22N2Si,
C10H24N2Si ? C1s, N1s, Si1s; C10H20N2, C10H22N2, C11H22N2, C11H22N2,
C11H24N2, C11H24N2 ? C1s, N1s) |
LU+99 |
1999LU&b |
J.F. Lehmann, S.G. Urquhart, L. Ennis, A.P. Hitchcock, K. Hatano,
S. Gupta and M.K. Denk, Core Excitation Spectroscopy Study of
Delocalization in Stable Cyclic Diamino Carbenes, Silylenes and
Germylenes, Organometallics 18 (1999) 1862-1872. |
LUH99 |
1999LUH |
R. Lessard, S.G. Urquhart and A.P. Hitchcock, (1999) unpublished.
(C8H6, C29H20O - C1s) CHECK for pyrocarbonate |
LUH97 |
1997LUH |
L.F. Lehmann, S.G. Urquhart and A.P. Hitchcock, (1997) unpublished.
(C7H12O2, C9H8O2, C14H10O3, C15H24O - C1s, O1s) |
LUH99 |
199LUH |
R. Lessard, S.G. Urquhart and A.P. Hitchcock, (1999) unpublished.
(C8H6, C29H20O - C1s) |
MC&87 |
1987MC& |
R. McLaren, S.A.C. Clark, I. Ishii and A.P. Hitchcock, Absolute
Oscillator Strength from K?shell Electron Energy Loss Spectra
of the Fluoroethenes and 1,2?perfluorobutadiene, Phys. Rev. A
36 (1987) 1683-1701. |
MH&89 |
1989MH& |
P. Millie, A.P. Hitchcock, S. Bodeur and I. Nenner (1989) unpublished.
(CO2, COS, CS2 - C1s, S2p, S1s, O1s) |
MI&87 |
1987IM& |
I. Ishii, R. McLaren, A.P. Hitchcock and M.B. Robin, Inner?Shell
Excitations in Weak Bond Molecules, J. Chem. Phys. 87 (1987) 4344-4360. |
NIH86 |
1986NIH |
D.C. Newbury, I. Ishii and A.P. Hitchcock, Inner Shell Electron
Energy Loss Spectroscopy of Some Heterocyclic Molecules, Can.
J. Chem. 64 (1986) 1145?1155. |
RH89 |
1989RH |
E. Rhl and A.P. Hitchcock, Carbon K-shell Excitation of Metallocenes,
J. Am. Chem. Soc. 111 (1989) 5069-5075. |
RH91 |
1991RH |
E. Rhl and A. P. Hitchcock, Oxygen K-shell Spectroscopy of
Hydrogen Peroxide, Chem. Phys. 154 (1991) 323-329. |
RI&88 |
1988RI& |
M.B. Robin, I. Ishii, R. McLaren and A.P. Hitchcock, Fluorination
Effects on the Inner?shell Spectra of Unsaturated Molecules, J.
Electron Spectrosc. 47 (1988) 53-92. |
RI&88 |
1990H |
A.P. Hitchcock, Core Excitation and Ionization of Molecules,
Physica Scripta T31 (1990) 159-170. |
H90 |
1990H |
A.P. Hitchcock, Core Excitation and Ionization of Molecules,
Physica Scripta T31 (1990) 159-170. |
RSH93 |
1993RSH |
M.L.M. Rocco, G.G.B. de Souza and A.P. Hitchcock, (1993) unpublished.
(C32H16N8, C32H16N8Fe, C32H16N8Ni, C32H16N8Zn - C1s; C32H16N8Ni
- N1s) |
RUH95 |
1995RUH |
E. Rhl, S.G. Urquhart and A.P. Hitchcock, (1995) unpublished.
(C6H12N2 - C1s, N1s) |
RWH91 |
1991RWH |
E. Rhl, A. T. Wen, and A. P. Hitchcock, Inner-shell excitation
of h5-C5H5Co(CO)2 and related compounds studied by electron energy
loss spectroscopy, J. Electron Spectroscopy 57 (1991) 137-164. |
SF |
1983HGD |
B.L. Henke, E.M. Gullikson, and J.C. Davis. X-ray interactions:
photoabsorption, scattering, transmission, and reflection at E=50-30000
eV, Z=1-92, Atomic Data and Nuclear Data Tables 54 (1983) 181-342 |
TC&02 |
2002TC& |
D. Tulumello, G. Cooper, E. Halliday and A.P. Hitchcock, (2002)
unpublished. (C5H14OSi, C8H12O3Si, C8H18O3Si - C1s, O1s, Si2p) |
TUH 96 |
1996TUH |
C.C. Turci, S.G. Urquhart and A.P. Hitchcock, Inner-shell Spectra
of aniline, nitrobenzene and the nitroanilines, Can. J. Chem.
74 (1996) 851-869. |
UA&99 |
1999UA& |
S.G. Urquhart, H. Ade, A.P. Smith, L.E. Ennis, J.F. Lehmann
and A.P. Hitchcock, (1999) unpublished. (C4H7O4 - C1s, O1s; C2H5N3O2,
C6H9N3O3 , C21H15N3O3 , C24H21N3O3 - C1s, O1s, N1s) |
UH&95b |
1995UH& |
.G. Urquhart, A.P. Hitchcock, R.D. Priester and E.G. Rightor,
Analysis of Polyurethanes using Core Excitation Spectroscopy.
Part II. Inner-shell Spectra of Ether, Urea and Carbamate Model
Compounds, J. Polymer Science B: Polymer Physics, 33 (1995) 1603-1620. |
UH&99 |
199UH& |
S.G. Urquhart, A.P. Hitchcock, R. Lessard, E.G. Rightor and
G.E. Mitchell, (1999) unpublished (C4H8N2O3, C4H8N2O3 - C1s, N1s,
O1s) |
UH+94b |
1994UH&b |
S.G. Urquhart and A.P. Hitchcock, (1994) unpublished. (C5H15NSi,
C7H18N2Si, C6H18N3Si, C7H21N2Si, C8H24N4Si, C9H21NSi3 - Si2p,
C1s, N1s, Si1s) |
UH+97a |
1997UH& |
S.G. Urquhart, A.P. Hitchcock, A.P. Smith, H. Ade and E.G. Rightor,
Inner-shell Excitation Spectroscopy of polymer and monomer forms
of dimethyl phthalate, J. Phys. Chem. B 101 (1997) 2267?2276. |
UH+98 |
1998UH& |
S.G. Urquhart, A.P. Hitchcock, J.F. Lehmann and M. Denk, Probing
Delocalization in Stable Silylenes: Core Excitation Spectra of
Si(NRCH=CHNR), Si(NRCH2CH2NR), H2Si(NRCH=CHNR) and H2Si(NRCH2CH2NR)
(R = tBu), Organometallics 17 (1998) 2352-2360. |
UH94b |
1994UH |
S.G. Urquhart and A.P. Hitchcock, (1994) unpublished. (C5H15NSi,
C7H18N2Si, C6H18N3Si, C7H21N2Si, C8H24N4Si, C9H21NSi3 - Si2p,
C1s, N1s, Si1s) |
UH96 |
1996UH |
S.G. Urquhart and A.P. Hitchcock, (1996) unpublished. (C7H9N
- 1s, N1s; C10H6F4 - C1s) |
UHR97 |
1997UHR |
S.G. Urquhart and A.P. Hitchcock, (1996) unpublished. (C7H8O
? C1s, O1s) |
UHR92 |
1994UHR |
S.G. Urquhart, A.P. Hitchcock and E.G. Rightor, (1994) unpublished.
(C6H14O, C21H15N3O3 - C1s, N1s, O1s) |
UHR92 |
1995UH& |
S.G. Urquhart, A.P. Hitchcock, R.D. Priester and E.G. Rightor,
Analysis of Polyurethanes using Core Excitation Spectroscopy.
Part II. Inner-shell Spectra of Ether, Urea and Carbamate Model
Compounds, J. Polymer Science B: Polymer Physics, 33 (1995) 1603-1620. |
UHR95 |
1995UHR |
S.G. Urquhart, A.P. Hitchcock and E.G. Rightor, (1992) unpublished.
(C5H14O -C1s, O1s; C9H6N2O2 , C13H17N2O4 , C19H22N2O4 - C1s, N1s,
O1s) |
UHR95 |
1995UH& |
S.G. Urquhart, A.P. Hitchcock, R.D. Priester and E.G. Rightor,
Analysis of Polyurethanes using Core Excitation Spectroscopy.
Part II. Inner-shell Spectra of Ether, Urea and Carbamate Model
Compounds, J. Polymer Science B: Polymer Physics, 33 (1995) 1603-1620. |
UHR99 |
|
S.G. Urquhart, A.P. Hitchcock and E.G. Rightor, (1999) unpublished.
(C11H14N2O4, 2,4-C9H6N2O2 ,2,6-C9H6N2O2 - C1s, N1s, O1s) |
XX04 |
2004XX |
(operators unknown) (2004) unpublished (C16H19N4O2 ? C1s, N1s,
O1s |
UH98 |
1998UH |
S.G. Urquhart and A.P. Hitchcock, (1998) unpublished. (C10H12N
? C1s, N1s) |
UT+97 |
1997UT& |
S.G. Urquhart, C.C. Turci, T. Tyliszczak, M.A. Brook and A.P.
Hitchcock, Core excitation spectroscopy of phenyl- and methyl-substituted
silanol, disiloxane and disilane compounds: Evidence for ?-Delocalisation
across the Si-Cphenyl Bond. Organometallics 16, (1997) 2080-2088. |
UX+94 |
1994UX& |
S.G. Urquhart, J.Z. Xiong, A.T. Wen, T.K. Sham, K.M. Baines,
G.G.B. de Souza and A.P. Hitchcock, Inner-shell Spectroscopy of
compounds containing Si-Si bonds: Is there a localised, low-energy
Si-Si resonance?, Chem. Phys. 189 (1994) 757-768 |
W92 |
1992W |
A.T. Wen, Core Excitation of Some Organometallic and OrganoSilicon
Molecules, McMaster PhD thesis, 1992 |
WH&90 |
1990WH& |
A.T. Wen, A.P. Hitchcock, N.H. Werstiuk, N. Nguyen and W.J.
Leigh, Studies of the Electronic Excited States of Substituted
Norbornenes by UV Absorption, Electron Energy Loss and HeI Photoelectron
Spectroscopy, Can. J. Chem. 68 (1990) 1967-1973. |
WH90 |
1990WH |
A.T. Wen and A.P. Hitchcock, (1990) unpublished. (C2HCl3 - C1s,
Cl2p) |
WH93 |
1993WH |
A.T. Wen and A.P. Hitchcock, Inner-shell Spectroscopy of (?5-C5H5)2TiCl2,
(?5-C5H5)TiCl3, and TiCl4, Can. J. Chem. 71 (1993) 1632-1644. |
WHR92 |
1992WHR |
A.T. Wen, A.P. Hitchcock and E. Ruhl, (1992) unpublished. (BzCr(CO)3,
CrBz2, CH3-BzCr(CO)3 - C1s, Cr2p,3p, O1s; C9H5O4V - V2p, C1s,
O1s) |
WRH89 |
1989WHR |
A.T. Wen, E. Ruhl and A.P. Hitchcock, (1989) unpublished. (C13H20MnO
-C1s, O1s, Mn2p, Mn3p; C10Cl2H10V, C10H10Mg ? C1s) |
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