# |
Name |
Formula |
alpha-formula |
edge |
filename |
Ref. Code |
Reference |
1 |
Hexaphenyldisilane |
(C6H5)6Si2 |
C36H30Si2 |
C1s |
a1-0cckk.os |
HH13 |
Hitchcock (unpublished) |
2 |
Hexaphenyldisilane |
(C6H5)6Si2 |
C36H30Si2 |
C1s |
a1-0sill.os |
HH13 |
Hitchcock (unpublished) |
3 |
Hexaphenyldisilane |
(C6H5)6Si2 |
C36H30Si2 |
C1s |
a1-1cckk.os |
HH13 |
Hitchcock (unpublished) |
4 |
Hexaphenyldisilane |
(C6H5)6Si2 |
C36H30Si2 |
Si 2p |
a1-1sill.os |
HH13 |
Hitchcock (unpublished) |
5 |
triphenyl silanol |
Ph3SiOH |
C18H16OSi |
C 1s |
a2-0cckk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
6 |
triphenyl silanol |
Ph3SiOH |
C18H16OSi |
O 1s |
a2-0ookk.os |
Ut+97 |
Organometallics 16 (1997) 2080. |
7 |
triphenyl silanol |
Ph3SiOH |
C18H16OSi |
Si 2p |
a2-0sill.os |
Ut+97 |
Organometallics 16 (1997) 2080. |
8 |
Boron |
B (atomic) |
B |
B 1s |
aaa-bbkk.os |
SF |
Optical grapher |
9 |
Carbon |
C (atomic) |
C |
C 1s |
aaa-cckk.os |
SF |
Optical grapher |
10 |
Chlorine |
Cl (atomic) |
Cl |
Cl 2p 2s |
aaa-clll.os |
SF |
Optical grapher |
11 |
Cobalt |
C (atomic) |
Co |
Co 2p 2s |
aaa-coll.os |
SF |
Optical grapher |
12 |
Iron |
Fe (atomic) |
Fe |
Fe 2p 2s |
aaa-fell.os |
SF |
Optical grapher |
13 |
Fluorine |
F (atomic) |
F |
F 1s |
aaa-ffkk.os |
SF |
Optical grapher |
14 |
Manganese |
Mn (atomic) |
Mn |
Mn 2p 2s |
aaa-mnll.os |
SF |
Optical grapher |
15 |
Neon |
Ne (atomic) |
Ne |
Ne 1s |
aaa-nell.os |
SF |
Optical grapher |
16 |
Nitrogen |
N (atomic) |
N |
N 1s |
aaa-nnkk.os |
SF |
Optical grapher |
17 |
Oxygen |
O (atomic) |
O |
O 1s |
aaa-ookk.os |
SF |
Optical grapher |
18 |
Selenium |
Se (atomic) |
Se |
Se 3d 3p 3s |
aaa-semm.os |
SF |
Optical grapher |
19 |
Silicon |
Si (atomic) |
Si |
Si 2p 2s |
aaa-sill.os |
SF |
Optical grapher |
20 |
Sulfur |
S (atomic) |
S |
S 2p 2s |
aaa-ssll.os |
SF |
Optical grapher |
21 |
titanium |
Ti (atomic) |
Ti |
Ti 2p 2s |
aaa-till.os |
SF |
Optical grapher |
22 |
Air (background) |
N2 (air) |
N2 |
N 1s |
ab-0nnkk.os |
UP |
|
23 |
Air (background) |
N2 & O2 (air) |
N2 |
N 1s & O 1s |
ab-0nokk.os |
UP |
|
24 |
Air (background) |
O2 (air) |
O2 |
O 1s |
ab-0ookk.os |
UP |
|
25 |
Acrylic acid |
CH2=CH-CO2H |
C3H4O2 |
C 1s |
ac-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
26 |
Acrylic acid |
CH2=CH-CO2H |
C3H4O2 |
O 1s |
ac-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
27 |
Perfluoroadamantine |
C10F16 |
C10F16 |
C 1s |
ad-0cckk.os |
HI88a |
Hitchcock (unpublished) |
28 |
Perfluoroadamantine |
C10F16 |
C10F16 |
F 1s |
ad-0ffkk.os |
HI88a |
Hitchcock (unpublished) |
29 |
Acetylene |
C2H2 |
C2H2 |
C 1s |
ae-0cckk.os |
HB77 |
J.El.Spec. 10 (77) 317. |
30 |
Trifluoroacetic acid |
CF3C00H |
C2F3HO2 |
C 1s |
af-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
31 |
Trifluoroacetic acid |
CF3C00H |
C2F3HO2 |
F 1s |
af-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
32 |
Trifluoroacetic acid |
CF3C00H |
C2F3HO2 |
O 1s |
af-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
33 |
alanine |
CH3CH(NH2)(COOH) |
CH7NO2 |
C1s |
AH-0CCKK.OS |
GH01 |
|
34 |
alanine |
CH3CH(NH2)(COOH) |
CH7NO2 |
N1s |
AH-0NNKK.OS |
GH01 |
|
35 |
alanine |
CH3CH(NH2)(COOH) |
CH7NO2 |
01s |
AH-0OOKK.OS |
GH01 |
|
36 |
alanine |
CH3CH(NH2)(COOH) |
CH7NO2 |
C1s |
ah-1cckk.os |
CG04 |
J. El. Spec. 137-140 (2004) 795 |
37 |
Acetic acid |
CH3COOH |
C2H4O2 |
C 1s |
ai-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
38 |
Acetic acid |
CH3COOH |
C2H4O2 |
O 1s |
ai-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
39 |
Allylic alcohol |
H2CCHCH2OH |
C3H6O |
C 1s |
al-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
40 |
Allylic alcohol |
H2CCHCH2OH |
C3H6O |
O 1s |
al-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
41 |
Adamantine |
C10H16 |
C10H16 |
C 1s |
am-0cckk.os |
HI88a |
Hitchcock (unpublished) |
42 |
Acetonitrile |
CH2CN |
C2H3N |
C 1s |
an-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
43 |
Acetonitrile |
CH2CN |
C2H3N |
N 1s |
an-0nnkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
44 |
Phenylalanine |
Ph-CH(CO2H)(NH2) |
C8H9NO2 |
C1s |
AP-0CCKK.OS |
GH01 |
|
45 |
Phenylalanine |
Ph-CH(CO2H)(NH2) |
C8H9NO2 |
N1s |
AP-ONNKK.OS |
GH01 |
|
46 |
Phenylalanine |
Ph-CH(CO2H)(NH2) |
C8H9NO2 |
O1s |
AP-0OOKK.OS |
GH01 |
|
47 |
Phenylacetaldehyde |
(C6H5)CH2CHO |
C8H8O |
C1s |
aq-0cckk.os |
HH13 |
Hitchcock (unpublished) |
48 |
Phenylacetaldehyde |
(C6H5)CH2CHO |
C8H8O |
O1s |
aq-0ookk.os |
HH13 |
Hitchcock (unpublished) |
49 |
Acetone |
(CH3)2CO |
C3H6O |
C1s |
AT-0CCKK.OS |
RI&88 |
|
50 |
Acetone |
(CH3)2CO |
C3H6O |
01s |
AT-0OOKK.OS |
RI&88 |
|
51 |
Acetone |
(CH3)2CO |
C3H6O |
C1s |
at-1cckk.os |
HH13 |
Hitchcock (unpublished) |
52 |
NN-dimethylaniline |
C6H5N(CH3)2 |
C8H11N |
C 1s |
ax-0cckk.os |
HUR93 |
Hitchcock (unpublished) |
53 |
NN-dimethylaniline |
C6H5N(CH3)2 |
C8H11N |
N 1s |
ax-0nnkk.os |
HUR93 |
Hitchcock (unpublished). |
54 |
Aniline |
C6H5NH2 |
C6H7N |
C 1s |
ay-0cckk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
55 |
Aniline |
C6H5NH2 |
C6H7N |
N 1s |
ay-0nnkk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
56 |
Azulene |
C10H8 |
C10H8 |
C 1s |
az-0cckk.os |
HT&89 |
J. Phys. Chem. 93 (89) 7624. |
57 |
n-Butane |
C4H10 |
C4H10 |
C 1s |
ba-0cckk.os |
HI&87 |
J. El Spec. 42 (87) 11. |
58 |
m-carborane |
B9C2H11 |
B10C2H12 |
B 1s |
bc-0bbkk.os |
HR+96 |
J. Phys. Chem. B. 101 (1996) 3483. |
59 |
m-carborane |
B9C2H11 |
B10C2H12 |
C 1s |
bc-0cckk.os |
HR+96 |
J. Phys. Chem. B. 101 (1996) 3483. |
60 |
Butyl acrylate |
H2C=CHCO2(CH2)3CH3 |
C7H12O2 |
C 1s |
be-0cckk.os |
LUH97 |
unpublished |
61 |
Butyl acrylate |
H2C=CHCO2(CH2)3CH3 |
C7H12O2 |
O 1s |
be-0ookk.os |
LUH97 |
unpublished |
62 |
borontrifluoride |
BF3 |
BF3 |
B 1s |
bf-0bbkk.os |
EA&91 |
Vac. Sci. Tech A 9 (91) 1663. |
63 |
borontrifluoride |
BF3 |
BF3 |
F 1s |
bf-0ffkk.os |
EA&91 |
Vac. Sci. Tech A 9 (91) 1663. |
64 |
Ortho-carborane |
B10C2H12 |
B10C2H12 |
B 1s |
bg-0bbkk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
65 |
Ortho-carborane |
B10C2H12 |
B10C2H12 |
C 1s |
bg-0cckk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
66 |
Diethylcarborane |
B4H4C2(Et)2 |
B4C6H14 |
B 1s |
bh-0bbkk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
67 |
Diethylcarborane |
B4H4C2(Et)2 |
B4C6H14 |
C 1s |
bh-0cckk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
68 |
Iron-phosphaborane |
Cp(CO)2FeB5H2PBz2 |
B5C17FeH22O2 |
B 1s |
bi-0bbkk.os |
HLD91 |
unpublished |
69 |
Iron-phosphaborane |
Cp(CO)2FeB5H2PBz2 |
B5C17FeH22O2 |
C 1s |
bi-0cckk.os |
HLD91 |
unpublished |
70 |
Iron-phosphaborane |
Cp(CO)2FeB5H2PBz2 |
B5C17FeH22O2 |
Fe 2p |
bi-0fell.os |
HLD91 |
unpublished |
71 |
Decaborane |
B10H14 |
B10H14 |
B 1s |
bj-0bbkk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
72 |
Pentaborane |
B5H9 |
B5H9 |
B 1s |
bk-0bbkk.os |
HW&93 |
J. Phys. Chem. 97 (1993) 8171. |
73 |
S-naphthalene |
C6H4N2S2 |
C6H4N2S2 |
C 1s |
bl-0cckk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
74 |
S-naphthalene |
C6H4N2S2 |
C6H4N2S2 |
N 1s |
bl-0nnkk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
75 |
S-naphthalene |
C6H4N2S2 |
C6H4N2S2 |
S 2p 2s |
bl-0sskk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
76 |
Diphenyl-phosphaborane |
Bz2PB5H8 |
B5C12H18P |
B 1s |
bm-0bbkk.os |
HLD91 |
unpublished. |
77 |
Diphenyl-phosphaborane |
Bz2PB5H8 |
B5C12H18P |
C 1s |
bm-0cckk.os |
HLD91 |
unpublished. |
78 |
Benzaldehyde |
C6H5CHO |
C7H6O |
C 1s |
bn-0cckk.os |
HU&92 |
J. Phys. Chem. 96 (92) 8736 |
79 |
Benzaldehyde |
C6H5CHO |
C7H6O |
O 1s |
bn-0ookk.os |
HU&92 |
J. Phys. Chem. 96 (92) 8736. |
80 |
Borazine |
B3N3H6 |
B3H6N3 |
B 1s |
bo-0bbkk.os |
DG&86 |
Am. Chem. Soc. 108 (86) 3602. |
81 |
Borazine |
B3N3H6 |
B3H6N3 |
N 1s |
bo-0nnkk.os |
DG&86 |
Am. Chem. Soc. 108 (86) 3602. |
82 |
Bis(t-Butyl)peroxide |
((CH3)3CO)2 |
C8H18O2 |
C 1s |
bp-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344 |
83 |
Bis(t-Butyl)peroxide |
((CH3)3CO)2 |
C8H18O2 |
O 1s |
bp-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344 |
84 |
Benzonitrile |
C6H5CN |
C7H5N |
C 1s |
bq-0cckk.os |
H92a |
Hitchcock (unpublished) |
85 |
Benzonitrile |
C6H5CN |
C7H5N |
N 1s |
bq-0nnkk.os |
H92a |
Hitchcock (unpublished) |
86 |
perfluoro biphenyl |
C12F10 |
C12F10 |
C 1s |
br-0cckk.os |
XX25 |
UP |
87 |
perfluoro biphenyl |
C12F10 |
C12F10 |
F 1s |
br-0ffkk.os |
XX25 |
UP |
88 |
biphenyl |
C12H10 |
C12H10 |
C 1s |
bs-0cckk.os |
XX25 |
Hitchcock (unpublished) |
89 |
Butadiene |
CH2=CHCH=CH2 |
C4H8 |
C 1s |
bt-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683 |
90 |
Biuret |
C2H5N3O2 |
C2H5N3O2 |
1s |
BU-0CCKK.OS |
LCH03 |
|
91 |
Biuret |
C2H5N3O2 |
C2H5N3O2 |
1s |
BU-0NNKK.OS |
LCH03 |
|
92 |
13524-benzotrithiadiazepine |
C6H4S3N2 |
C6H4N2S3 |
C 1s |
bv-0cckk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
93 |
13524-benzotrithiadiazepine |
C6H4S3N2 |
C6H4N2S3 |
N 1s |
bv-0nnkk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
94 |
13524-benzotrithiadiazepine |
C6H4S3N2 |
C6H4N2S3 |
S 2p 2s |
bv-0sskk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
95 |
213-benzotrithiadiazole |
C6H4SN2 |
C6H4N2S |
C 1s |
bw-0cckk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
96 |
213-benzotrithiadiazole |
C6H4SN2 |
C6H4N2S |
N 1s |
bw-0nnkk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
97 |
213-benzotrithiadiazole |
C6H4SN2 |
C6H4N2S |
S 2p 2s |
bw-0sskk.os |
HD&91 |
J. El. Spec. 57 (91) 165. |
98 |
2-Butyne |
CH3C:::CCH3 |
C4H6 |
C 1s |
by-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
99 |
Benzene |
C6H6 |
C6H6 |
C 1s |
bz-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
100 |
Benzenechromium tricarbonyl |
BzCr(CO)3 |
C9CrH6O3 |
C 1s |
ca-0cckk.os |
WHR92 |
unpublished. |
101 |
Benzenechromium tricarbonyl |
BzCr(CO)3 |
C9CrH6O3 |
O 1s |
ca-0ookk.os |
WHR92 |
unpublished. |
102 |
Cyclobutane |
c-C4H8 |
C4H8 |
C 1s |
cb-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
103 |
Dicobaltoctacarbonyl |
Co2(CO)8 |
C8Co2O8 |
C 1s |
cc-0cckk.os |
RWH91 |
J. El. Spec. 57 (91) 137 |
104 |
Dicobaltoctacarbonyl |
Co2(CO)8 |
C8Co2O8 |
Co 2p |
cc-0col3.os |
RWH91 |
J. El. Spec. 57 (91) 137 |
105 |
Dicobaltoctacarbonyl |
Co2(CO)8 |
C8Co2O8 |
O 1s |
cc-0ookk.os |
RWH91 |
J. El. Spec. 57 (91) 137 |
106 |
Carbon dioxide |
CO2 |
CO2 |
C 1s |
cd-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
107 |
Carbon dioxide |
CO2 |
CO2 |
O 1s |
cd-0ookk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
108 |
12-dichloroethane |
CH2Cl-CH2Cl |
C2Cl2H4 |
C 1s |
ce-0cckk.os |
H92a |
Hitchcock (unpublished) |
109 |
12-dichloroethane |
CH2Cl-CH2Cl |
C2Cl2H4 |
Cl 2p |
ce-0cll3.os |
H92a |
Hitchcock (unpublished) |
110 |
Carbonyl Fluoride |
CF2O |
CF2O |
C 1s |
cf-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
111 |
Carbonyl Fluoride |
CF2O |
CF2O |
F 1s |
cf-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
112 |
Carbonyl Fluoride |
CF2O |
CF2O |
O 1s |
cf-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
113 |
Cyclohexene |
c-C6H8 |
C6H8 |
C 1s |
ch-0cckk.os |
HR89 H91 |
Physica B 158 (89) 403. |
114 |
cis-12-difluoroethene |
C2F2H2 |
C2F2H2 |
C 1s |
ci-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683 |
115 |
cis-12-difluoroethene |
C2F2H2 |
C2F2H2 |
F 1s |
ci-0ffkk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683 |
116 |
dichloro-difluoro-methane |
CCl2F2 |
CCl2F2 |
C 1s |
cj-0cckk.os |
H14 |
Patel & Hitchcock (unpublished) |
117 |
dichloro-difluoro-methane |
CCl2F2 |
CCl2F2 |
Cl 2p 2s C 1s |
cj-0clcc.os |
H14 |
Patel & Hitchcock (unpublished) |
118 |
dichloro-difluoro-methane |
CCl2F2 |
CCl2F2 |
Cl 2p 2s |
cj-0clll.os |
H14 |
Patel & Hitchcock (unpublished) |
119 |
dichloro-difluoro-methane |
CCl2F2 |
CCl2F2 |
F 1s |
cj-0ffkk.os |
H14 |
Patel & Hitchcock (unpublished) |
120 |
11-difluoro-ethane |
CH3CF2H |
CCF2H5 |
C 1s |
ck-0cckk.os |
19 |
Hitchcock (unpublished) |
121 |
11-difluoro-ethane |
CH3CF2H |
CCF2H5 |
F 1s |
ck-0ffkk.os |
19 |
Hitchcock (unpublished) |
122 |
Cyclopentadienylcobalt dicarbonyl |
CpCo(CO)2 |
C7CoH5O2 |
C 1s |
cm-0cckk.os |
RWH91 |
J. El. Spec. 57 (91) 137. |
123 |
Cyclopentadienylcobalt dicarbonyl |
CpCo(CO)2 |
C7CoH5O2 |
Co 2p |
cm-0col3.os |
RWH91 |
J. El. Spec. 57 (91) 137. |
124 |
Cyclopentadienylcobalt dicarbonyl |
CpCo(CO)2 |
C7CoH5O2 |
O 1s |
cm-0ookk.os |
RWH91 |
J. El. Spec. 57 (91) 137. |
125 |
Carbonmonoxide |
CO |
CO |
C 1s |
co-0cckk.os |
HB80a |
J. El. Spec.18 (80) 1. |
126 |
Carbonmonoxide |
CO |
CO |
O 1s |
co-0ookk.os |
HB80a |
J. El. Spec.18 (80) 1. |
127 |
Cyclopropane |
c-C3H6 |
C3H6 |
C 1s |
cp-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
128 |
Carbondisulphide |
CS2 |
CS2 |
C 1s |
cs-0cckk.os |
MH&89 |
Hitchcock (unpublished) |
129 |
Carbondisulphide |
CS2 |
CS2 |
S 2p |
cs-0ssl3.os |
MH&89 |
Hitchcock (unpublished) |
130 |
Toluenechromiumtricarbonyl |
CH3-C6H5-Cr(CO)3 |
C10CrH8O3 |
C 1s |
ct-0cckk.os |
WRH89 |
unpublished. |
131 |
Chromocene |
Cr(Cp)2 |
C10CrH10 |
C 1s |
cx-0cckk.os |
HWR89 |
unpublished. |
132 |
Cobaltacene |
Co(Cp)2 |
C10CoH10 |
C 1s |
cy-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
133 |
Cobaltacene |
Co(Cp)2 |
C10CoH10 |
Co 2p |
cy-0col3.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
134 |
bis-benzenechromium |
Cr(Bz)2 |
C12CrH12 |
C 1s |
cz-0cckk.os |
WHR92 |
unpublished. |
135 |
Decylalcohol |
C10H21OH |
C10H22O |
C 1s |
da-0cckk.os |
HI88a |
Hitchcock (unpublished) |
136 |
t-butyl-ferrocene |
(C5H5)Fe(C5H4-C(CH3)3) |
C14FeH18 |
C 1s |
dc-0cckk.os |
WRH92 |
Organometallics 11 (92) 2559. |
137 |
t-butyl-ferrocene |
(C5H5)Fe(C5H4-C(CH3)3) |
C14FeH18 |
Fe 2p |
dc-0fel3.os |
WRH92 |
Organometallics 11 (92) 2559. |
138 |
Diethylether |
(C2H5)2O |
C4H10O |
C 1s |
de-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
139 |
Diethylether |
(C2H5)2O |
C4H10O |
O 1s |
de-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
140 |
Difluorobenzene |
c-C6H4F2 |
C6F2H4 |
C 1s |
df-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
141 |
Difluorobenzene |
c-C6H4F2 |
C6F2H4 |
F 1s |
df-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
142 |
Dicyanoimidazole |
C3N2H2(CN)2 |
C5H2N4 |
C 1s |
di-0cckk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
143 |
Dicyanoimidazole |
C3N2H2(CN)2 |
C5H2N4 |
N 1s |
di-0nnkk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
144 |
22-dimethylpropane |
C(CH3)4 |
C5H12 |
C 1s |
dm-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
145 |
Diazadiene |
C10N2H18 |
C10H20N2 |
C 1s |
dn-0cckk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
146 |
Diazadiene |
C10N2H18 |
C10H20N2 |
N 1s |
dn-0nnkk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
147 |
Dihydropyran |
c-C5H8O |
C5H8O |
C 1s |
dp-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
148 |
Dihydropyran |
c-C5H8O |
C5H8O |
O 1s |
dp-0ookk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
149 |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
all |
ds-0aakk.os |
H15 |
Hitchcock (unpublished) |
150 |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
C 1s |
ds-0cckk.os |
H15 |
Hitchcock (unpublished) |
151 |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
C 1s |
ds-0ookk.os |
H15 |
Hitchcock (unpublished) |
152 |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
C 1s |
ds-0ssl1.os |
H15 |
Hitchcock (unpublished) |
153 |
dimethyl sulfoxide (DMSO) |
(CH3)2SO |
C2H6OS |
C 1s |
ds-0ssl3.os |
H15 |
Hitchcock (unpublished) |
154 |
Dimethyl-terephthalate |
CH3O-CO-C6H4-COOCH3 |
C10H10O4 |
C 1s |
dt-0cckk.os |
UH&95b |
J. Pol. Sci. B Pol. Phys. 33 (1995) 1603. |
155 |
Dimethyl-terephthalate |
CH3O-CO-C6H4-COOCH3 |
C10H10O4 |
O 1s |
dt-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
156 |
Ethanol |
CH3CH2OH |
C2H6O |
C 1s |
ea-0cckk.os |
H92a |
Hitchcock (unpublished) |
157 |
Ethanol |
CH3CH2OH |
C2H6O |
O 1s |
ea-0ookk.os |
H92a |
Hitchcock (unpublished) |
158 |
Ethylbenzoate |
C2H5O-CO-C6H5 |
C9H10O2 |
C 1s |
eb-0cckk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
159 |
Ethylbenzoate |
C2H5O-CO-C6H5 |
C9H10O2 |
O 1s |
eb-0ookk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
160 |
Trichloroethylene |
CCl2=CHCl |
C2Cl3H |
C 1s |
ec-0cckk.os |
WH90 |
Hitchcock (unpublished) |
161 |
Trichloroethylene |
CCl2=CHCl |
C2Cl3H |
Cl 2p |
ec-0cll3.os |
WH90 |
Hitchcock (unpublished) |
162 |
Chloro-trifluoro-ethylene |
CF2=CFCl |
C2ClF3 |
Cl 2p |
ed-0clll.os |
H13 |
Hitchcock (unpublished) |
163 |
111-trifluoro-ethane |
CF3CH3 |
C2F3H3 |
C 1s |
ef-0cckk.os |
RI&88 H90 |
J.El.Spec. 47 (88) 53; Phys. Scripta T31 (90) 159. |
164 |
111-trifluoro-ethane |
CF3CH3 |
C2F3H3 |
F 1s |
ef-0ffkk.os |
RI&88 H90 |
J.El.Spec. 47 (88) 53; Phys. Scripta T31 (90) 159. |
165 |
ethylene glycol |
OH-CH2CH2-OH |
C2H6O2 |
C 1s |
EG-0CCKK.OS |
EU&98 |
|
166 |
ethylene glycol |
OH-CH2CH2-OH |
C2H6O2 |
O 1s |
EG-0OOKK.OS |
EU&98 |
|
167 |
Ethylene |
C2H4 |
C2H4 |
C 1s |
eh-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
168 |
Ethyl allophanate |
NH2CONHCOOC2H5 |
C4H8N2O3 |
C 1s |
EP-0CCKK.OS |
UH&99 |
|
169 |
Ethyl allophanate |
NH2CONHCOOC2H5 |
C4H8N2O3 |
N 1s |
EP-0NNKK.OS |
UH&99 |
|
170 |
Ethyl allophanate |
NH2CONHCOOC2H5 |
C4H8N2O3 |
O 1s |
EP-0OOKK.OS |
UH&99 |
|
171 |
Ethane |
C2H6 |
C2H6 |
C 1s |
et-0cckk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104 |
172 |
Formic acid |
HCOOH |
CH2O2 |
C 1s |
fa-0cckk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
173 |
Formic acid |
HCOOH |
CH2O2 |
O 1s |
fa-0ookk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
174 |
13-hexafluorobutadiene |
CF2CF=CFCF2 |
C4F6 |
C 1s |
fb-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
175 |
13- Hexafluorobutadiene |
CF2CF=CFCF2 |
C4F6 |
F 1s |
fb-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
176 |
per-Fluoro-Cyclobutane |
c-C4F8 |
C4F8 |
C 1s |
fc-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
177 |
per-Fluoro-Cyclobutane |
c-C4F8 |
C4F8 |
F 1s |
fc-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
178 |
Perflurocyclohexane |
c-C6F12 |
C6F12 |
C 1s |
fd-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
179 |
Perflurocyclohexane |
c-C6F12 |
C6F12 |
F 1s |
fd-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
180 |
Hexafluoroethane |
CF3CF3 |
C2F6 |
C 1s |
fe-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
181 |
Hexafluoroethane |
CF3CF3 |
C2F6 |
F 1s |
fe-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
182 |
11-difluoroethene |
CF2CH2 |
C2F2H2 |
C 1s |
ff-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
183 |
11-ifluoroethene |
CF2CH2 |
C2F2H2 |
F 1s |
ff-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
184 |
perfluorocyclopentene |
C5F8 |
C5F8 |
C 1s |
fg-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
185 |
perfluorocyclopentene |
c-C5F8 |
C5F8 |
F 1s |
fg-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
186 |
perfluorohexane |
C6F14 |
C6F14 |
C 1s |
fh-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
187 |
perfluorohexane |
C6F14 |
C6F14 |
F 1s |
fh-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
188 |
perfluorocyclopentane |
c-C5F10 |
C5F10 |
C 1s |
fi-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
189 |
perfluorocyclopentane |
c-C5F10 |
C5F10 |
F 1s |
fi-0ffkk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
190 |
cyclohexadiene-iron-tricarbonyl |
c-C6H8Fe(CO)3 |
C9FeH8O3 |
C 1s |
fj-0cckk.os |
WRH92 |
Organometallics 11 (92) 2559 |
191 |
cyclohexadiene-iron-tricarbonyl |
c-C6H8Fe(CO)3 |
C9FeH8O3 |
Fe 2p |
fj-0fel3.os |
WRH92 |
Organometallics 11 (92) 2559 |
192 |
cyclohexadiene-iron-tricarbonyl |
c-C6H8Fe(CO)3 |
C9FeH8O3 |
O 1s |
fj-0ookk.os |
WRH92 |
Organometallics 11 (92) 2559 |
193 |
Iron nonacarbonyl |
C9Fe2O9 |
C9Fe2O9 |
C 1s |
fk-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
194 |
Iron nonacarbonyl |
C9Fe2O9 |
C9Fe2O9 |
Fe 2p |
fk-0fel3.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
195 |
Iron nonacarbonyl |
Fe2(CO)9 |
C9Fe2O9 |
O 1s |
fk-0ookk.os |
WRH92 |
Organometallics 11 (92) 2559. |
196 |
Formylfluoride |
CFHO |
CFHO |
C 1s |
fl-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
197 |
Formylfluoride |
FCHO |
CFHO |
F 1s |
fl-0ffkk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
198 |
Formylfluoride |
CFHO |
CFHO |
O 1s |
fl-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
199 |
Formamide |
HCONH2 |
CH3ON |
C 1s |
fm-0cckk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
200 |
Formamide |
CH3NO |
CH3ON |
N 1s |
fm-0nnkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
201 |
Formamide |
HCONH2 |
CH3ON |
O 1s |
fm-0ookk.os |
IH87 |
J. Chem. Phys. 87 (87) 830. |
202 |
Perfluorobutane |
C4F10 |
C4F10 |
C 1s |
fn-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
203 |
Perfluorobutane |
C4F10 |
C4F10 |
F 1s |
fn-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
204 |
Perfluoroeneopentane |
C5F12 |
C5F12 |
C 1s |
fo-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
205 |
Perfluoroeneopentane |
C5F12 |
C5F12 |
F 1s |
fo-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
206 |
perfluoropropane |
C3F8 |
C3F8 |
C 1s |
fp-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
207 |
Perfluoropropane |
CF3CF2CF3 |
C3F8 |
F 1s |
fp-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
208 |
Cyclooctatetraeneiron tricarbonyl |
C8H8Fe(CO)3 |
C11FeH8O3 |
C 1s |
fq-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
209 |
Cyclooctatetraeneiron tricarbonyl |
C8H8Fe(CO)3 |
C11FeH8O3 |
Fe 2p |
fq-0llkk.os |
WRH92 |
Organometallics 11 (92) 2559. |
210 |
cyclooctatetraene-iron-tricarbonyl |
c-C8H8Fe(CO)3 |
C11FeH8O3 |
O 1s |
fq-0ookk.os |
WRH92 |
Organometallics 11 (92) 2559. |
211 |
Perfluorocyclopropane |
c-C3F6 |
C3F6 |
C 1s |
fr-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
212 |
Perfluorocyclopropane |
c-C3F6 |
C3F6 |
F 1s |
fr-0ffkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
213 |
butadiene-iron-tricarbonyl |
C4H6Fe(CO)3 |
C7FeH6O3 |
C 1s |
fs-0cckk.os |
WRH92 |
Organometallics 11 (92) 2559 |
214 |
butadiene-iron-tricarbonyl |
C4H6Fe(CO)3 |
C7FeH6O3 |
Fe 2p |
fs-0fell.os |
WRH92 |
Organometallics 11 (92) 2559 |
215 |
butadiene-iron-tricarbonyl |
C4H6Fe(CO)3 |
C7FeH6O3 |
O 1s |
fs-0ookk.os |
WRH92 |
Organometallics 11 (92) 2559 |
216 |
perfluoro-2-butene |
CF3CF=CFCF3 |
C4F8 |
C 1s |
ft-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
217 |
perfluoro-2-butene |
CF3CF=CFCF3 |
C4F8 |
F 1s |
ft-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
218 |
Vinylferrocene |
CH2CHC5H4FeC5H5 |
C12FeH12 |
C 1s |
fu-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
219 |
Vinylferrocene |
CH2CHC5H4FeC5H5 |
C12H12Fe |
Fe 2p |
fu-0llkk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
220 |
Perfluoro-n-pentane |
C5F12 |
C5F12 |
C 1s |
fv-0cckk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104 |
221 |
Perfluoro-n-pentane |
C5F12 |
C5F12 |
F 1s |
fv-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104 |
222 |
Iron Pentacarbonyl |
Fe(CO)5 |
C5FeO5 |
C 1s |
fw-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
223 |
Iron Pentacarbonyl |
Fe(CO)5 |
C5FeO5 |
Fe 2p |
fw-0fel3.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
224 |
Iron Pentacarbonyl |
Fe(CO)5 |
C5FeO5 |
O 1s |
fw-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53 |
225 |
ferrocene |
Fe(C5H5)2 |
C10FeH10 |
C 1s |
fx-0cckk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069 |
226 |
ferrocene |
Fee(C5H5)2 |
C10FeH10 |
Fe 2p |
fx-0fel3.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069 |
227 |
Perfluoro-2-butyne (Matheson) |
CF3CCCF3 |
C4F6 |
C 1s |
fy-0cckk.os |
HS&84 |
Rev. Sci. Inst. 55 (84) 696. |
228 |
Perfluoro-2-butyne (Matheson) |
CF3CCCF3 |
C4F6 |
F 1s |
fy-0ffkk.os |
HS&84 |
Rev. Sci. Inst. 55 (84) 696. |
229 |
Chloro-FRED |
Cl-C-(Co(CO)3)3 |
C10ClCo3O9 |
C 1s |
gf-0cckk.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
230 |
Chloro-FRED |
Cl-C-(Co(CO)3)3 |
C10ClCo3O9 |
Cl 2p |
gf-0cll3.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
231 |
Chloro-FRED |
Cl-C-(Co(CO)3)3 |
C10ClCo3O9 |
Co 2p |
gf-0col3.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
232 |
Chloro-FRED |
Cl-C-(Co(CO)3)3 |
C10ClCo3O9 |
O 1s |
gf-0ookk.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
233 |
glycl-glycine |
(CO2H)CH(Me)NHCOCH(Me) |
C6H10N2O2 |
C1s |
GG-0CCKK.OS |
GC&03 |
|
234 |
glycl-glycine |
(CO2H)CH(Me)NHCOCH(Me) |
C6H10N2O2 |
N1s |
GG-0NNKK.OS |
GC&03 |
|
235 |
glycl-glycine |
(CO2H)CH(Me)NHCOCH(Me) |
C6H10N2O2 |
O1s |
GG-0OOKK.OS |
GC&03 |
|
236 |
glycine |
NH2CH2COOH |
C2H5O2N |
C1s |
GL-0CCKK.OS |
GC&03 |
|
237 |
glycine |
NH2CH2COOH |
C2H5O2N |
N1s |
GL-0NNKK.OS |
GC&03 |
|
238 |
glycine |
NH2CH2COOH |
C2H5O2N |
O1s |
GL-0OOKK.OS |
GC&03 |
|
239 |
glycine |
NH2CH2COOH |
C2H5O2N |
C1s |
GL-1CCKK.OS |
GC&03 GC&04 |
ys.Chem A 107 (2003) 6144. J.El.Spec. 137-140 (2004) 795. |
240 |
dimethyl carbonate |
(CH3O)2CO |
C3H6O3 |
C 1s |
gm-0cckk.os |
HW&91 |
Hitchcock (unpublished) |
241 |
dimethyl carbonate |
(CH3O)2CO |
C3H6O3 |
O 1s |
gm-0ookk.os |
HW&91 |
Hitchcock (unpublished) |
242 |
diphenyl carbonate |
(C6H5O)2CO |
C13H10O3 |
C 1s |
gp-0cckk.os |
HW&91 |
Hitchcock (unpublished). |
243 |
saturated Germylene |
C10N2H22Ge |
C10N2H22Ge |
C 1s |
gs-0cckk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
244 |
saturated Germylene |
C10N2H22Ge |
C10N2H22Ge |
Ge 3p |
gs-0ge3p.os |
LU+99 |
Organometallics 18 (1999) 1862 |
245 |
saturated Germylene |
C10N2H22Ge |
C10N2H22Ge |
N 1s |
gs-0nnkk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
246 |
Cyclopentadiene vanadium tetracarbonyl |
C5H5V(CO)4 |
C9H5O4V |
C 1s |
gt-0cckk.os |
WHR92 |
unpublished |
247 |
Cyclopentadiene vanadium tetracarbonyl |
C5H5V(CO)4 |
C9H5O4V |
O 1s |
gt-0ookk.os |
WHR92 |
unpublished |
248 |
Cyclopentadiene vanadium tetracarbonyl |
(C5H5)V(CO)4 |
C9H5O4V |
V 2p |
gt-0vvll.os |
WHR92 |
unpublished |
249 |
unsaturated Germylene |
C10N2H20Ge |
C10N2H20Ge |
C 1s |
gu-0cckk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
250 |
unsaturated Germylene |
C10N2H20Ge |
C10N2H20Ge |
Ge 3p |
gu-0ge3p.os |
LU+99 |
Organometallics 18 (1999) 1862 |
251 |
unsaturated Germylene |
C10N2H20Ge |
C10N2H20Ge |
N 1s |
gu-0nnkk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
252 |
Perfluoroacetone |
CF3COCF3 |
C3F6O |
C 1s |
ha-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
253 |
Perfluoroacetone |
CF3COCF3 |
C3F6O |
F 1s |
ha-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
254 |
Perfluoroacetone |
CF3COCF3 |
C3F6O |
O 1s |
ha-0ookk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
255 |
13-cyclohexadiene |
c-C6H8 |
C6H8 |
C 1s |
hc-0cckk.os |
H91 |
Hitchcock (unpublished) |
256 |
14-cyclohexadiene |
c-C6H8 |
C6H8 |
C 1s |
hd-0cckk.os |
H91 |
Hitchcock (unpublised) |
257 |
Hexafluorobenzene |
c-C6F6 |
C6F6 |
C 1s |
hf-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
258 |
Hexafluorobenzene |
c-C6F6 |
C6F6 |
F 1s |
hf-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
259 |
Cyclohexane |
c-C6H10 |
C6H10 |
C 1s |
hg-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
260 |
Hydrazine |
N2H4 |
H4N2 |
N 1s |
hn-0nnkk.os |
H90a |
Phys. Scripta T31 (90) 159. |
261 |
Hydrogen peroxide |
H2O2 |
H2O2 |
O 1s |
hp-0ookk.os |
RH91 |
Chem. Phys. 154 (91) 323. |
262 |
24-hexadiene |
C6H6 |
C6H6 |
C 1s |
hv-0cckk.os |
HS90 |
unpublished |
263 |
16-heptadiyne |
HC:::C(CH2)3C:::CH |
C7H8 |
C 1s |
hz-0cckk.os |
HS90 |
unpublished |
264 |
Isobutane |
CH3CH(CH3)CH3 |
C4H10 |
C 1s |
ib-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
265 |
isopropyl ether |
[(CH3)2CH]2O |
C6H14O |
C 1s |
ie-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
266 |
isopropyl ether |
[(CH3)2CH]2O |
C6H14O |
O 1s |
ie-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
267 |
ethyl carbamate |
NH2COOC2H5 |
C3H7NO2 |
C 1s |
if-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
268 |
ethyl carbamate |
NH2COOC2H5 |
C3H7NO2 |
N 1s |
if-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
269 |
ethyl carbamate |
NH2COOC2H5 |
C3H7NO2 |
O 1s |
if-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
270 |
N-methyl-N-phenylurethane |
C6H5N(CH3)CO2C2H5 |
C10H13NO2 |
C 1s |
ig-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
271 |
N-methyl-N-phenylurethane |
C6H5N(CH3)CO2C2H5 |
C10H13NO2 |
N 1s |
ig-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
272 |
N-methyl-N-phenylurethane |
C6H5N(CH3)CO2C2H5 |
C10H13NO2 |
O 1s |
ig-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
273 |
diphenylmethane |
(C6H5)2CH2 |
C13H12 |
C 1s |
ih-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
274 |
sec-Butyl-Ethyl-Ether |
CH3OC4H11 |
C5H14O |
C 1s |
ii-0cckk.os |
UHR95 |
unpublished. |
275 |
sec-Butyl-Ethyl-Ether |
CH3OC4H11 |
C5H14O |
O 1s |
ii-0ookk.os |
UHR95 |
unpublished |
276 |
NN-diphenyl urea |
(C6H5NH)2CO |
C13H12N2O |
C 1s |
ij-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
277 |
NN-diphenyl urea |
(C6H5NH)2CO |
C13H12N2O |
N 1s |
ij-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
278 |
NN-diphenyl urea |
(C6H5NH)2CO |
C13H12N2O |
O 1s |
ij-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
279 |
ethyl N-phenyl carbamate |
C6H5NHCOOCH2CH3 |
C9H11NO2 |
C 1s |
ik-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
280 |
ethyl N-phenyl carbamate |
C6H5NHCOOCH2CH3 |
C9H11NO2 |
N 1s |
ik-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
281 |
ethyl N-phenyl carbamate |
C6H5NHCOOCH2CH3 |
C9H11NO2 |
O 1s |
ik-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
282 |
phenylurea |
C6H5NHCONH2 |
C7H8N2O |
C 1s |
il-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
283 |
phenylurea |
C6H5NHCONH2 |
C7H8N2O |
N 1s |
il-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
284 |
phenylurea |
C6H5NHCONH2 |
C7H8N2O |
O 1s |
il-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
285 |
benzyl carbamate |
C6H5CH2CONH2 |
C8H9NO |
C 1s |
im-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
286 |
benzyl carbamate |
C6H5CH2CONH2 |
C8H9NO |
N 1s |
im-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
287 |
benzyl carbamate |
C6H5CH2CONH2 |
C8H9NO |
O 1s |
im-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
288 |
246-triphenoxy-135-triazine |
(Ph-O)3-C3N3 |
C21H15N3O3 |
C 1s |
in-0cckk.os |
UHR92 |
Hitchcock (unpublished). |
289 |
246-triphenoxy-135-triazine |
(Ph-O)3-C3N3 |
C21H15N3O3 |
N 1s |
in-0nnkk.os |
UHR92 |
Hitchcock (unpublished). |
290 |
246-triphenoxy-135-triazine |
(Ph-O)3-C3N3 |
C21H15N3O3 |
O 1s |
in-0ookk.os |
UHR92 |
Hitchcock (unpublished). |
291 |
Isopentane (i.e. 2-methylbutane) |
CH3CH(CH3)CH2CH3 |
C5H12 |
C 1s |
ip-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
292 |
Isopropanol |
C3H7OH |
C3H8O |
C1s |
is-0cckk.os |
HH13 |
Hitchcock (unpublished) |
293 |
Isopropanol |
C3H7OH |
C3H8O |
O1s |
is-0ookk.os |
HH13 |
Hitchcock (unpublished) |
294 |
Imidazole |
C3H4N2 |
C3H4N2 |
C 1s |
iz-0cckk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
295 |
Imidazole |
C3H4N2 |
C3H4N2 |
N 1s |
iz-0nnkk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
296 |
TDI bis ethyl urethane |
C13H17N2O4 |
C13H17N2O4 |
C 1s |
ja-0cckk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
297 |
TDI bis ethyl urethane |
C13H17N2O4 |
C13H17N2O4 |
N 1s |
ja-0nnkk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
298 |
TDI bis ethyl urethane |
C13H17N2O4 |
C13H17N2O4 |
O 1s |
ja-0ookk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
299 |
MDI bis ethyl urethane |
C19H22N2O4 |
C19H22N2O4 |
C 1s |
je-0cckk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
300 |
MDI bis ethyl urethane |
C19H22N2O4 |
C19H22N2O4 |
N 1s |
je-0nnkk.os |
UHR95 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
301 |
trimethyl isocyanurate |
C6H9N3O3 |
C6H9N3O3 |
C 1s |
jg-0cckk.os |
UA&99 |
|
302 |
trimethyl isocyanurate |
C6H9N3O3 |
C6H9N3O3 |
N 1s |
jg-0nnkk.os |
UA&99 |
|
303 |
trimethyl isocyanurate |
C6H9N3O3 |
C6H9N3O3 |
O 1s |
jg-0ookk.os |
UA&99 |
|
304 |
triphenyl isocyanurate |
C21H15N3O3 |
C21H15N3O3 |
C 1s |
jh-0cckk.os |
UHR92 |
J. Polymer Science B: Polymer Physics 33 (1995) 1603 |
305 |
12-cyclohexanedione |
para-O=C6H8=O |
C6H8O2 |
C 1s |
ka-0cckk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
306 |
12-cyclohexanedione |
para-O=C6H8=O |
C6H8O2 |
O 1s |
ka-0ookk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
307 |
13-cyclohexanedione |
c-C6H8O2 |
C6H8O2 |
C 1s |
kb-0cckk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
308 |
13-cyclohexanedione |
c-C6H8O2 |
C6H8O2 |
O 1s |
kb-0ookk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
309 |
14-cyclohexanedione |
C6H8O2 |
C6H8O2 |
C 1s |
kc-0cckk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
310 |
14-cyclohexanedione |
C6H8O2 |
C6H8O2 |
O 1s |
kc-0ookk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
311 |
cyclohexanone |
c-C6H10O |
C6H10O |
C 1s |
kd-0cckk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
312 |
cyclohexanone |
c-C6H10O |
C6H10O |
O 1s |
kd-0ookk.os |
FH94 |
J. Phys. Chem. 98 (1994) 3650. |
313 |
4-HEXEN-3-ONE |
C2H5(CO)C2H2(ME) |
C6H10O |
C1s |
KE-0CCKK.OS |
LUH99 |
|
314 |
4-HEXEN-3-ONE |
C2H5(CO)C2H2(ME) |
C6H10O |
O1s |
KE-0OOKK.OS |
LUH99 |
|
315 |
2-cyclohexen-1-one |
C6H8O |
C6H80 |
C1s |
KF-0CCKK.OS |
LUH99 |
|
316 |
2-cyclohexen-1-one |
C6H8O |
C6H80 |
O1s |
KF-0OOKK.OS |
LUH99 |
|
317 |
Phenyl Ether |
PH(O)PH |
C12H10O |
C1s |
KH-0CCKK.OS |
UP |
|
318 |
Phenylacetylene |
C8H6 |
C8H6 |
C1s |
KI-0CCKK.OS |
LUH03 |
|
319 |
tetraphenylcyclopentadienone |
C5(O)(PH)5 |
C29H20O |
C1s |
KJ-0CCKK.OS |
LUH99 |
|
320 |
dimethyl pyrocarbonate |
MeO-CO-O-CO-OMe |
C4H6O5 |
C 1s |
KL-0CCKK.OS |
LCH03 |
|
321 |
Dimethyl Pyrocarbonate |
ME(O)CO(O)CO(O)ME |
C4H6O5 |
O1s |
KL-0OOKK.OS |
LCH03 |
|
322 |
Trifluoromethyl-norbornene |
C7H9CF3 |
C8F3H9 |
C 1s |
km-0cckk.os |
WH&90 |
Can. J. Chem. 68 (90) 1967. |
323 |
Diacetimide |
ME(CO)NH(CO)ME |
C4H7N02 |
C1s |
KN-0CCKK.OS |
LCH03 |
|
324 |
Diacetimide |
ME(CO)NH(CO)ME |
C4H7N02 |
N1s |
KN-0NNKK.OS |
LCH03 |
|
325 |
Diacetimide |
ME(CO)NH(CO)ME |
C4H7N02 |
O1s |
KN-0OOKK.OS |
LCH03 |
|
326 |
Acetic Anhydride |
ME(CO)O(CO)ME |
C4H6O3 |
C1s |
KO-0CCKK.OS |
LCH03 |
|
327 |
Acetic Anhydride |
ME(CO)O(CO)ME |
C4H6O3 |
O1s |
KO-0OOKK.OS |
LCH03 |
|
328 |
AcetylAcetone |
ME(CO)CH2(CO)ME |
C5H8O2 |
C1s |
KP-0CCKK.OS |
LCH03 |
|
329 |
AcetylAcetone |
ME(CO)CH2(CO)ME |
C5H8O2 |
O1s |
KP-0OOKK.OS |
LCH03 |
|
330 |
Dimethyl Malonate |
ME(O)CO(CH2)CO(O)ME |
C5H8O4 |
C1s |
KQ-0CCKK.OS |
LCH03 |
|
331 |
Dimethyl Malonate |
ME(O)CO(CH2)CO(O)ME |
C5H8O4 |
O1s |
KQ-0OOKK.OS |
LCH03 |
|
332 |
Malonamide |
NH2(CO)CH2(CO)NH2 |
C3H6N2O2 |
C1s |
KR-0CCKK.OS |
LCH03 |
|
333 |
Malonamide |
NH2(CO)CH2(CO)NH2 |
C3H6N2O2 |
N1s |
KR-0NNKK.OS |
LCH03 |
|
334 |
Malonamide |
NH2(CO)CH2(CO)NH2 |
C3H6N2O2 |
O1s |
KR-0OOKK.OS |
LCH03 |
|
335 |
Anthracene |
C14H10 |
C14H10 |
C1s |
KT-0CCKK.OS |
GT&03 |
unpublished |
336 |
Pyrene |
C16H10 |
C16H10 |
C1s |
KU-0CCKK.OS |
GT&03 |
|
337 |
Triphenylene |
C18H12 |
C18H12 |
C1s |
KV-0CCKK.OS |
GT&03 |
|
338 |
Phenanthrene |
C14H10 |
C14H10 |
C1s |
KW-0CCKK.OS |
GT&03 |
|
339 |
12-Benzanthracene |
C18H12 |
C18H12 |
C1s |
KX-0CCKK.OS |
GT&03 |
|
340 |
Toluene ethyl urea |
C16H19N4O2 |
C16H19N4O2 |
C1s |
KY-0CCKK.OS |
UP |
|
341 |
lactic acid |
CH3CH(OH)COOH |
C3H6O3 |
C1s |
LA-0CCKK.OS |
GC&03 |
|
342 |
lactic acid |
CH3CH(OH)COOH |
C3H6O3 |
01s |
LA-0OOKK.OS |
GC&03 |
|
343 |
cysteine |
NH2-CH(CH2SH)-COOH |
C3H7NO2S |
C 1s |
ld-0cckk.os |
JS&08 |
J. Phys. Chem. (to submit) |
344 |
Manganese carbonylbromide |
Mn(CO)5Br |
BrC5MnO5 |
C 1s |
mb-0cckk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
345 |
Manganese carbonylbromide |
Mn(CO)5Br |
BrC5MnO5 |
Mn 2p |
mb-0mnll.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
346 |
Manganese carbonylbromide |
Mn(CO)5Br |
BrC5MnO5 |
O 1s |
mb-0ookk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
347 |
Manganese carbonylhydride |
Mn(CO)5H |
C5HMnO5 |
C 1s |
mc-0cckk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
348 |
Manganese carbonylhydride |
Mn(CO)5H |
C5HMnO5 |
O 1s |
mc-0ookk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
349 |
Manganese carbonyl |
Mn2(CO)10 |
C10Mn2O10 |
C 1s |
md-0cckk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
350 |
Manganese carbonyl |
Mn2(CO)10 |
C10Mn2O10 |
Mn 2p |
md-0mnl3.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
351 |
Manganese carbonyl |
Mn2(CO)10 |
C10Mn2O10 |
O 1s |
md-0ookk.os |
RH89 |
J.Am.Chem.Soc. 111 (89) 5069. |
352 |
Methane |
CH4 |
CH4 |
C 1s |
me-0cckk.os |
KH08 |
J. El Spec. 42 (87) 11. |
353 |
Methoxyalkyd.tricobalt nonacarbonyl |
Co3(CO)9COCH3 |
C11Co3H3O10 |
C 1s |
mf-0cckk.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
354 |
Methoxyalkilyd.tricobalt nonacarbonyl |
Co3(CO)9COCH3 |
C11Co3H3O10 |
Co 2p |
mf-0coll.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
355 |
Methoxyalkilyd.tricobalt nonacarbonyl |
Co3(CO)9COCH3 |
C11Co3H3O10 |
O 1s |
mf-0ookk.os |
HM&93 |
J.C.S. Faraday Trans 89 (1993) 3331. |
356 |
methylcyclopentadienylmanganese tricarbonyl |
(CH3C5H4)Mn(CO)3 |
C9H7MnO3 |
C 1s |
mg-0cckk.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
357 |
methylcyclopentadienylmanganese tricarbonyl |
(CH3C5H4)Mn(CO)3 |
C9H7MnO3 |
Mn 2p |
mg-0mnl3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
358 |
methylcyclopentadienylmanganese tricarbonyl |
(CH3C5H4)Mn(CO)3 |
C9H7MnO3 |
O 1s |
mg-0ookk.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
359 |
Trifluoromethylhypofluorite |
CF3OF |
CF4O |
C 1s |
mh-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
360 |
Trifluoromethylhypofluorite |
CF3OF |
CF4O |
F 1s |
mh-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
361 |
Trifluoromethylhypofluorite |
CF3OF |
CF4O |
O 1s |
mh-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
362 |
Methyl isocyanide |
CH3N=C |
C2H3N |
C 1s |
mi-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
363 |
Methyl isocyanide |
CH3N=C |
C2H3N |
N 1s |
mi-0nnkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
364 |
methanol |
CH3OH |
CH4O |
C 1s |
ml-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
365 |
methanol |
CH3OH |
CH4O |
O 1s |
ml-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
366 |
Methyl mercaptan |
CH3SH |
CH4S |
C 1s |
mm-0cckk.os |
DTH90 |
Chem. Phys. 142 (90) 455. |
367 |
Methyl mercaptan |
CH3SH |
CH4S |
S 2p 2s |
mm-0ssll.os |
DTH90 |
Chem. Phys. 142 (90) 455. |
368 |
Methyl Norbornene |
CH3-C7H9 |
C8H12 |
C 1s |
mn-0cckk.os |
WH&90 |
Can. J. Chem. 68 (90) 1967. |
369 |
Bis(cyclopentyl)magnesium |
(C5H5)2Mg |
C10H10Mg |
C 1s |
mp-0cckk.os |
WRH89 |
|
370 |
methyl formate |
HCO2CH3 |
C2H4O2 |
C 1s |
mr-0cckk.os |
IH88 |
J. Electron Spectrosc. 46 (1988) 55. |
371 |
methyl formate |
HCO2CH3 |
C2H4O2 |
O 1s |
mr-0ookk.os |
IH88 |
J. Electron Spectrosc. 46 (1988) 55. |
372 |
Tetrafluoromethane (or Freon-114) |
CF4 |
CF4 |
C 1s |
mt-0cckk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
373 |
Tetrafluoromethane (or Freon-114) |
CF4 |
CF4 |
F 1s |
mt-0ffkk.os |
IM&88 |
Can. J. Chem. 66 (88) 2104. |
374 |
perfluromethyl-methylsulfonate |
CF3SO3CH3 |
C2F3H3O3S |
C 1s |
mu-0cckk.os |
H14 |
Hitchcock (unpublished) |
375 |
perfluromethyl-methylsulfonate |
CF3SO3CH3 |
C2F3H3O3S |
F 1s |
mu-0ffkk.os |
H14 |
Hitchcock (unpublished) |
376 |
perfluromethyl-methylsulfonate |
CF3SO3CH3 |
C2F3H3O3S |
O 1s |
mu-0ookk.os |
H14 |
Hitchcock (unpublished) |
377 |
perfluromethyl-methylsulfonate |
CF3SO3CH3 |
C2F3H3O3S |
S 2p S 2s |
mu-0ssll.os |
H14 |
Hitchcock (unpublished) |
378 |
methane sulfonic acid |
CH3SO3H |
CH4O3S |
O 1s |
mv-0cckk.os |
H14 |
Hitchcock (unpublished) |
379 |
methane sulfonic acid |
CH3SO3H |
CH4O3S |
S 2p 2s |
mv-0cckk.os |
H14 |
Hitchcock (unpublished) |
380 |
methane sulfonic acid |
CH3SO3H |
CH4O3S |
C 1s |
mv-0cckk.os |
H14 |
Hitchcock (unpublished) |
381 |
Methyl methanesulfonate |
CH3SO3CH3 |
C2H6O3S |
C1s |
mw-0cckk.os |
HH14 |
Unpublished |
382 |
Methyl methanesulfonate |
CH3SO3CH3 |
C2H6O3S |
O1s |
mw-0ookk.os |
HH14 |
Unpublished |
383 |
Methyl methanesulfonate |
CH3SO3CH3 |
C2H6O3S |
S2p |
mw-0ssll.os |
HH14 |
Unpublished |
384 |
Bis(cyclopentadienyl)manganese |
(C5H5)2Mn |
C10H10Mn |
C 1s |
mx-0cckk.os |
HWR89 |
unpublished. |
385 |
Methy fluoride |
CH3F |
CFH3 |
C 1s |
my-0cckk.os |
H92a |
Hitchcock (unpublished) |
386 |
Methy fluoride |
CH3F |
CFH3 |
F 1s |
my-0ffkk.os |
H92a |
Hitchcock (unpublished) |
387 |
Naphthalene |
C10H8 |
C10H8 |
C 1s |
na-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
388 |
Naphthalene |
C10H8 |
C10H8 |
C 1s |
NA-1CCKK.OS |
GT&03 |
|
389 |
Norbornene |
C7H10 |
C7H10 |
C 1s |
nb-0cckk.os |
WH&90 |
Can. J. Chem. 68 (90) 1967. |
390 |
bis(12-dicarbollyl)nickel(IV) |
Ni(B9C2H11)2 |
B18C4H22Ni |
B 1s |
nd-0bbkk.os |
HLD91 |
unpublished. |
391 |
bBis(12-dicarbollyl)nickel(IV) |
Ni(B9C2H11)2 |
B18C4H22Ni |
C 1s |
nd-0cckk.os |
HLD91 |
unpublished. |
392 |
Neon |
Ne |
Ne |
Ne 1s |
ne-0nekk.os |
HB80c |
J. Phys. B 13 (90) 3269. |
393 |
Octafluoronaphthalene(i.e.Perfluoro-) |
C10F8 |
C10F8 |
C 1s |
nf-0cckk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
394 |
Octafluoronaphthalene(i.e.Perfluoro-) |
C10F8 |
C10F8 |
F 1s |
nf-0ffkk.os |
RI&88 |
J. El. Spec. 47 (88) 53. |
395 |
ortho nitro aniline |
o-NO2C6H4NH2 |
C6H6N2O2 |
C 1s |
ng-0cckk.os |
TUH 96 |
Can. J. Chem. 74 (1996) 851. |
396 |
ortho nitro aniline |
o-NO2C6H4NH2 |
C6H6N2O2 |
N 1s |
ng-0nnkk.os |
TUH 96 |
Can. J. Chem. 74 (1996) 851. |
397 |
ortho nitro aniline |
o-NO2C6H4NH2 |
C6H6N2O2 |
O 1s |
ng-0ookk.os |
TUH 96 |
Can. J. Chem. 74 (1996) 851. |
398 |
n-Hexane |
C6H14 |
C6H14 |
C 1s |
nh-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
399 |
Nickelocene |
Ni(Cp)2 |
C10NiH10 |
C 1s |
ni-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
400 |
nitro benzene |
NO2C6H5 |
C6H5NO2 |
C 1s |
nj-0cckk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
401 |
nitro benzene |
NO2C6H5 |
C6H5NO2 |
N 1s |
nj-0nnkk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
402 |
nitro benzene |
NO2C6H5 |
C6H5NO2 |
O 1s |
nj-0ookk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
403 |
meta nitroaniline |
m-NO2C6H4NH2 |
C6H6N2O2 |
C 1s |
nk-0cckk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
404 |
meta nitroaniline |
m-NO2C6H4NH2 |
C6H6N2O2 |
N 1s |
nk-0nnkk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
405 |
meta nitroaniline |
m-NO2C6H4NH2 |
C6H6N2O2 |
O 1s |
nk-0ookk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
406 |
Trifluoronitrosomethane |
CF3NO |
CF3NO |
C 1s |
nm-0cckk.os |
HIR89 |
Hitchcock (unpublished) |
407 |
Trifluoronitrosomethane |
CF3NO |
CF3NO |
F 1s |
nm-0ffkk.os |
HIR89 |
Hitchcock (unpublished) |
408 |
Trifluoronitrosomethane |
CF3NO |
CF3NO |
N 1s |
nm-0nnkk.os |
HIR89 |
Hitchcock (unpublished) |
409 |
Trifluoronitrosomethane |
CF3NO |
CF3NO |
O 1s |
nm-0ookk.os |
HIR89 |
Hitchcock (unpublished) |
410 |
Nitrogen |
N2 |
N2 |
N 1s |
nn-0nnkk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
411 |
Nitric Oxide |
NO |
NO |
N 1s |
no-0nnkk.os |
HF15 |
unpublished. |
412 |
Nitric Oxide |
NO |
NO |
O 1s |
no-0ookk.os |
HF15 |
unpublished. |
413 |
n-pentane |
C5H12 |
C5H12 |
C 1s |
np-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
414 |
para nitroaniline |
p-NH2C6H4NO2 |
C6H6N2O2 |
C 1s |
nq-0cckk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
415 |
para nitroaniline |
p-NH2C6H4NO2 |
C6H6N2O2 |
N 1s |
nq-0nnkk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
416 |
para nitroaniline |
p-NH2C6H4NO2 |
C6H6N2O2 |
O 1s |
nq-0ookk.os |
TUH96 |
Can. J. Chem. 74 (1996) 851. |
417 |
n-propane |
C3H8 |
C3H8 |
C 1s |
nr-0cckk.os |
HI87 |
J. El Spec. 42 (87) 11. |
418 |
Trifluoroacetonitrile |
CF3CN |
C2F3N |
C 1s |
nt-0cckk.os |
HS90 |
unpublished |
419 |
Trifluoroacetonitrile |
CF3CN |
C2F3N |
F 1s |
nt-0ffkk.os |
HS90 |
unpublished |
420 |
Trifluoroacetonitrile |
CF3CN |
C2F3N |
N 1s |
nt-0nnkk.os |
HS90 |
unpublished |
421 |
1234-tetramethylnaphthalene |
C10H16 |
C10H16 |
C 1s |
ny-0cckk.os |
CH07 |
Unpublished (measured 92-93) |
422 |
monofluorobenzene |
c-C6H5F |
C6FH5 |
C 1s |
ob-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
423 |
monofluorobenzene |
c-C6H5F |
C6FH5 |
F 1s |
ob-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
424 |
Cyclooctatetraene |
c-C8H8 |
C8H8 |
C 1s |
oc-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
425 |
Oxygen Difluoride |
OF2 |
F2O |
F 1s |
of-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
426 |
Oxygen Difluoride |
OF2 |
F2O |
O 1s |
of-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
427 |
tetraaminoethylene tetramethyl |
C10N4H20 |
C10N4H20 |
1s |
OL-0CCKK.OS |
LU&99 |
|
428 |
tetraaminoethylene tetramethyl |
C10N4H20 |
C10N4H20 |
1s |
OL-ONNKK.OS |
LU&99 |
|
429 |
Oxygen |
O2 |
O2 |
O 1s |
ox-0ookk.os |
HF&93 |
Hitchcock (unpublished) |
430 |
Tetrahydropyran |
c-C5H10O |
C5H10O |
C 1s |
pa-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
431 |
Tetrahydropyran |
c-C5H10O |
C5H10O |
O 1s |
pa-0ookk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
432 |
Di-t-butylphosphorus chloride |
(C4H9)2PCl |
ClC8H18P |
C 1s |
pb-0cckk.os |
HH+98 |
J. El. Spec. 94 (1998) 187. |
433 |
Di-t-butylphosphorus chloride |
(C4H9)2PCl |
ClC8H18P |
P 2p |
pb-0ppmm.os |
HH+98 |
J. El. Spec. 94 (1998) 187. |
434 |
Di-t-butylphosphorus chloride |
(C4H9)2PCl |
ClC8H18P |
Cl 2p |
pb-0xxmm.os |
HH+98 |
J. El. Spec. 94 (1998) 187. |
435 |
propene |
C3H6 |
C3H6 |
C 1s |
pc-0cckk.os |
HS90 |
unpublished |
436 |
Cyclopentadiene (cp) |
C5H6 |
C5H6 |
C 1s |
pd-0cckk.os |
RWH91 |
J. El. Spec. 57 (91) 137. |
437 |
Pentafluorobenzene |
c-C6F5H |
C6F5H |
C 1s |
pf-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
438 |
Pentafluorobenzene |
c-C6F5H |
C6F5H |
F 1s |
pf-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
439 |
Propargyl alcohol |
C3H4O |
C3H4O |
C 1s |
pg-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
440 |
Propargyl alcohol |
C3H4O |
C3H4O |
O 1s |
pg-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
441 |
Phosgene |
Cl2CO |
CCl2O |
C 1s |
ph-0cckk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
442 |
Phosgene |
Cl2CO |
CCl2O |
O 1s |
ph-0ookk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
443 |
Piperdine |
c-C5H11N |
C5H11N |
C 1s |
pi-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
444 |
Piperdine |
c-C5H11N |
C5H11N |
N 1s |
pi-0nnkk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
445 |
Polyglycol P-390 |
[O-(C3H6)-O]n |
|
C 1s |
pj-0cckk.os |
UP |
|
446 |
Polyglycol P-390 |
[O-(C3H6)-O]n |
|
O 1s |
pj-0ookk.os |
UP |
|
447 |
12-propanediol |
C3H8O2 |
C3H8O2 |
C 1s |
pk-0cckk.os |
EUH98 |
unpublished |
448 |
12-propanediol |
C3H8O2 |
C3H8O2 |
O 1s |
pk-0ookk.os |
EUH98 |
unpublished |
449 |
n-Propanol |
CH3CH2CH2OH |
C3H8O |
C 1s |
pl-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
450 |
n-Propanol |
CH3CH2CH2OH |
C3H8O |
O 1s |
pl-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
451 |
propionic acid |
CH3CH2COOH |
C2H6O2 |
C 1s |
pn-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
452 |
propionic acid |
CH3CH2COOH |
C2H6O2 |
O 1s |
pn-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
453 |
Pyrrole |
c-C4H5N |
C4H5N |
C 1s |
po-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
454 |
Pyrrole |
c-C4H5N |
C4H5N |
N 1s |
po-0nnkk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
455 |
Propiolic acid |
HCCCO2H |
C3H2O2 |
C 1s |
pp-0cckk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
456 |
Propiolic acid |
HCCCO2H |
C3H2O2 |
O 1s |
pp-0ookk.os |
IH88 |
J. El. Spec. 46 (88) 55. |
457 |
Pyrrolidine |
c-C4H9N |
C4H9N |
C 1s |
pq-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
458 |
Pyrrolidine |
c-C4H9N |
C4H9N |
N 1s |
pq-0nnkk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
459 |
Proline |
C5H9NO2 |
C5H9NO2 |
C 1s |
pr-0cckk.os |
JS&08 |
Jiang et al (unpublished) |
460 |
Phenyl methyl ketone |
(C6H5)CO(CH3) |
C8H8O |
C1s |
pt-0cckk.os |
HH13 |
Hitchcock (unpublished) |
461 |
Phenyl methyl ketone |
(C6H5)CO(CH3) |
C8H8O |
O1s |
pt-0ookk.os |
HH13 |
Hitchcock (unpublished) |
462 |
Cyclopentane |
c-C5H10 |
C5H10 |
C 1s |
pu-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
463 |
Cyclopentene |
c-C5H8 |
C5H8 |
C 1s |
pv-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
464 |
Propyne |
C3H4 |
C3H4 |
C 1s |
pw-0cckk.os |
HS90 |
unpublished |
465 |
Bis(trifluoromethyl) peroxide |
CF3OOCF3 |
C2F6O2 |
C 1s |
px-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
466 |
Bis(trifluoromethyl) peroxide |
CF3OOCF3 |
C2F6O2 |
F 1s |
px-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
467 |
Bis(trifluoromethyl) peroxide |
CF3OOCF3 |
C2F6O2 |
O 1s |
px-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
468 |
Pyridine |
c-C5H5N |
C5H5N |
C 1s |
py-0cckk.os |
HS&85 |
J. Chem. Phys. 83 (85) 6099. |
469 |
Pyridine |
c-C5H5N |
C5H5N |
N 1s |
py-0nnkk.os |
HS&85 |
J. Chem. Phys. 83 (85) 6099. |
470 |
N-Hexylpyruvamide |
C3H5NO2 |
C3H5NO2 |
C1s |
PZ-0CCKK.OS |
UP |
|
471 |
14-benzoquinone |
C6H4O2 |
C6H4O2 |
C 1s |
qb-0cckk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
472 |
14-benzoquinone |
C6H4O2 |
C6H4O2 |
O 1s |
qb-0ookk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
473 |
terephthaloyl chloride |
C6H4-14-(COCl)2 |
C8Cl2H4O2 |
C 1s |
qc-0cckk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
474 |
terephthaloyl chloride |
C6H4-14-(COCl)2 |
C8Cl2H4O2 |
O 1s |
qc-0ookk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
475 |
Hydroquinone |
C6H4(OH)2 |
C6H6O2 |
C 1s |
qh-0cckk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
476 |
Hydroquinone |
C6H4(OH)2 |
C6H6O2 |
O 1s |
qh-0ookk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
477 |
Phenol |
C6H5OH |
C6H6O |
C 1s |
qm-0cckk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
478 |
Phenol |
C6H5OH |
C6H6O |
O 1s |
qm-0ookk.os |
FH92 |
J. Phys. Chem. 96 (92) 6598. |
479 |
Cyclopentyl-rhenium-carbonyl-nitrogen |
Cp*Re(CO)2N2 |
C12H15N2O2Re |
C 1s |
rn-0cckk.os |
HS92 |
unpublished |
480 |
Cyclopentyl-rhenium-carbonyl-nitrogen |
Cp*Re(CO)2N2 |
C12H15N2O2Re |
N 1s |
rn-0nnkk.os |
HS92 |
unpublished |
481 |
Cyclopentyl-rhenium-carbonyl-nitrogen |
Cp*Re(CO)2N2 |
C12H15N2O2Re |
O 1s |
rn-0ookk.os |
HS92 |
unpublished |
482 |
3-Bu-thiophene |
C4H9-C4H4S |
C8H13S |
C 1s |
sb-0cckk.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
483 |
3-Bu-thiophene |
C4H9-C4H4S |
C8H13S |
S 2p |
sb-0ssl3.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
484 |
hexachlorodisilane |
Cl3SiSiCl3 |
Cl6Si2 |
Cl 2p |
sc-0cll3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
485 |
hexachlorodisilane |
Cl3SiSiCl3 |
Cl6Si2 |
Si 2p |
sc-0sil3.os |
W92 |
A.T. Wen Ph.D. thesis (1992). |
486 |
3-decyl-thiophene |
C10H21-C4H4S |
C14H25S |
C 1s |
sd-0cckk.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
487 |
Selenophene |
c-SeC4H4 |
C4H4Se |
C 1s |
se-0cckk.os |
HTB89 |
Can. J. Chem. 67 (89) 1819. |
488 |
Selenophene |
c-SeC4H4 |
C4H4Se |
Se 3d 3p |
se-0sem5.os |
HTB89 |
Can. J. Chem. 67 (89) 1819. |
489 |
sulfur hexafluoride |
SF6 |
F6S |
F 1s |
sf-0ffkk.os |
FH15 |
Hitchcock (unpublished) |
490 |
Sulfurhexafluoride |
SF6 |
F6S |
S 2s |
sf-0ss2s.os |
FT+95 |
Phys. Rev. A. 52 (1995) 4665. |
491 |
Sulfurhexafluoride |
SF6 |
F6S |
S 2s |
sf-0ssl1.os |
FT+95 |
Phys. Rev. A. 52 (1995) 4665. |
492 |
Sulfurhexafluoride |
SF6 |
F6S |
S 2p |
sf-0ssl3.os |
HB78c |
Chem. Phys. 33 (78) 55. |
493 |
sulfur hexafluoride |
SF6 |
F6S |
S 2p |
sf-0sspp.os |
FH15 |
Hitchcock (unpublished) |
494 |
Silicon tetrachloride |
SiCl4 |
Cl4Si |
Cl 2p |
sg-0cll3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
495 |
Silicon tetrachloride |
SiCl4 |
Cl4Si |
Si 2p |
sg-0sil3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
496 |
3-Hx-thiophene |
C6H13-C4H4S |
C10H17S |
C 1s |
sh-0cckk.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
497 |
3-Hx-thiophene |
C6H13-C4H4S |
C10H17S |
S 2p |
sh-0ssl3.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
498 |
hexamethyldisilane |
(CH3)3SiSi(CH3)3 |
C6H18Si2 |
C 1s |
si-0cckk.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
499 |
hexamethyldisilane |
(CH3)3SiSi(CH3)3 |
C6H18Si2 |
Si 2p |
si-0sil3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
500 |
tetrakisttrimethylsilyl-silane |
Si[Si(CH3)3]4 |
C12H36Si5 |
C 1s |
sj-0cckk.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
501 |
tetrakisttrimethylsilyl-silane |
Si[Si(CH3)3]4 |
C12H36Si5 |
Si 2p |
sj-0sil3.os |
W92 |
A.T. Wen Ph.D. thesis (1992) |
502 |
sulfurtetrafluoride |
SF4 |
SF4 |
F 1s |
sk-0ffkk.os |
BH87 |
Chem. Phys. 111 (87) 467. |
503 |
sulfurtetrafluoride |
SF4 |
SF4 |
S 2p |
sk-0ssl3.os |
BH87 |
Chem. Phys. 111 (87) 467. |
504 |
3-Me-selenophene |
CH3-C4H4Se |
C5H7Se |
C 1s |
sm-0cckk.os |
HTB89 |
Can. J. Chem. 67 (89) 1819. |
505 |
Carbonyl sulfide |
COS |
COS |
C 1s |
so-0cckk.os |
MH&89 |
Hitchcock (unpublished) |
506 |
Carbonyl sulfide |
COS |
COS |
O 1s |
so-0ookk.os |
MH&89 |
Hitchcock (unpublished) |
507 |
Carbonyl sulfide |
COS |
COS |
S 2p |
so-0ssl3.os |
MH&89 |
Hitchcock (unpublished) |
508 |
Triphenylsilane |
(C6H5)3SiH |
C18H15SiH |
C1s |
sp-0cckk.os |
HH13 |
Hitchcock (unpublished) |
509 |
Triphenylsilane |
(C6H5)3SiH |
C18H15SiH |
Si 2p |
sp-0sill.os |
HH13 |
Hitchcock (unpublished) |
510 |
hexamethyl disiloxane |
O(SiMe3)2 |
C6H18OSi2 |
C 1s |
ss-0cckk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
511 |
hexamethyl disiloxane |
O(SiMe3)2 |
C6H18OSi2 |
O 1s |
ss-0ookk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
512 |
hexamethyl disiloxane |
O(SiMe3)2 |
C6H18OSi2 |
Si 2p |
ss-0sill.os |
UT+97 |
Organometallics 16 (1997) 2080. |
513 |
3-Et-thiophene |
C2H5-C4H4S |
C6H9S |
C 1s |
st-0cckk.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
514 |
3-Et-thiophene |
C2H5-C4H4S |
C6H9S |
S 2p |
st-0ssl3.os |
HT&90 |
J. Phys. Chem. 94 (90) 2327. |
515 |
3-octyl-thiophene |
C8H17-C4H4S |
C12H21S |
C 1s |
sx-0cckk.os |
HT&89 |
J. Phys. Chem. 93 (89) 7624. |
516 |
3-octyl-thiophene |
C8H17-C4H4S |
C12H21S |
S 2p |
sx-0ssl3.os |
HT&89 |
J. Phys. Chem. 93 (89) 7624. |
517 |
tetra-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)4 |
C8H24O4Si4 |
C 1s |
sy-0cckk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
518 |
tetra-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)4 |
C8H24O4Si4 |
O 1s |
sy-0ookk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
519 |
tetra-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)4 |
C8H24O4Si4 |
Si 2p |
sy-0sill.os |
UT+97 |
Organometallics 16 (1997) 2080. |
520 |
Thiophene |
c-C4H4S |
C4H4S |
C 1s |
ta-0cckk.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
521 |
Thiophene |
c-C4H4S |
C4H4S |
S 1s |
ta-0ssl3.os |
HN&86 |
J. Chem. Phys. 85 (86) 4849. |
522 |
Tetrafluorobenzene |
c-C6F4H2 |
C6F4H2 |
C 1s |
tb-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
523 |
Tetrafluorobenzene |
c-C6F4H2 |
C6F4H2 |
F 1s |
tb-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
524 |
Methylthiocyanide |
CH3SCN |
C2H3NS |
C 1s |
tc-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
525 |
Methylthiocyanide |
CH3SCN |
C2H3NS |
N 1s |
tc-0nnkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
526 |
Methylthiocyanide |
CH3SCN |
C2H3NS |
S 2p |
tc-0ssl3.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
527 |
Cyclopentadienyltitanium trichloride |
C5H5TiCl3 |
C5Cl3H5Ti |
C 1s |
td-0cckk.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
528 |
Cyclopentadienyltitanium trichloride |
C5H5TiCl3 |
C5Cl3H5Ti |
Cl 2p |
td-0cll3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
529 |
Cyclopentadienyltitanium trichloride |
C5H5TiCl3 |
C5Cl3H5Ti |
Ti 2p |
td-0til3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
530 |
Tetrafluoroethene |
CF2CF2 |
C2F4 |
C 1s |
te-0cckk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
531 |
Tetrafluoroethene |
CF2CF2 |
C2F4 |
F 1s |
te-0ffkk.os |
MC&87 |
Phys. Rev. A 36 (87) 1683. |
532 |
135-trifluorobenzene |
c-C6F3H3 |
C6F3H3 |
C 1s |
tf-0cckk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
533 |
135-trifluorobenzene |
c-C6F3H3 |
C6F3H3 |
F 1s |
tf-0ffkk.os |
HF&87 |
J. Phys. Chem. 91 (87) 531. |
534 |
Titanocene dichloride |
(C5H5)2TiCl2 |
C10Cl2H10Ti |
C 1s |
tg-0cckk.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
535 |
Titanocene dichloride |
(C5H5)2TiCl2 |
C10Cl2H10Ti |
Cl 2p |
tg-0cll3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
536 |
Titanocene dichloride |
(C5H5)2TiCl2 |
C10Cl2H10Ti |
Ti 2p |
tg-0til3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
537 |
Methyl-thio-isocyanide |
CH3SNC |
C2H3NS |
C 1s |
ti-0cckk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
538 |
Methyl-thio-isocyanide |
CH3SNC |
C2H3NS |
N 1s |
ti-0nnkk.os |
HTM89 |
J. Phys. Chem. 93 (89) 3068. |
539 |
Titanium tetrachloride |
TiCl4 |
Cl4Ti |
Cl 2p |
tj-0cll3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
540 |
Titanium tetrachloride |
TiCl4 |
Cl4Ti |
Ti 2p |
tj-0til3.os |
WH93 |
Can. J. Chem. 71 (1993) 1632. |
541 |
Tetrahydrofuran |
c-C4H8O |
C4H8O |
C 1s |
tk-0cckk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
542 |
Tetrahydrofuran |
c-C4H8O |
C4H8O |
O 1s |
tk-0ookk.os |
NIH86 |
Can. J. Chem. 64 (86) 1145. |
543 |
t-Butyl alcohol |
C4H9OH |
C4H10O |
C 1s |
tl-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
544 |
t-Butyl alcohol |
C4H9OH |
C4H10O |
O 1s |
tl-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
545 |
trimer of imidazole |
(C3N2(CN)2)3 |
C15N12 |
C 1s |
tm-0cckk.os |
UP |
|
546 |
Tetrafluorohyrazene |
NF2NF2 |
F4N2 |
F 1s |
tn-0ffkk.os |
HIR89 |
Hitchcock (unpublished) |
547 |
Tetrafluorohyrazene |
NF2NF2 |
F4N2 |
N 1s |
tn-0nnkk.os |
HIR89 |
Hitchcock (unpublished) |
548 |
Toluene |
C7H8 |
C7H8 |
C 1s |
to-0cckk.os |
CH07 |
Unpublished (measured 92-93) |
549 |
1-Trimethyl silyl-1 4-pentadyne |
HCCCH2CCSi(CH3)3 |
C8H12Si |
C 1s |
tp-0cckk.os |
HS90 |
unpublished |
550 |
1-Trimethyl silyl-14-pentadyne |
HCCCH2CCSi(CH3)3 |
C8H12Si |
Si 2p 2s |
tp-0sill.os |
HS90 |
unpublished |
551 |
Terephthaldicarboxaldehyde |
C6H4-14-(CHO)2 |
C8H6O2 |
C 1s |
tq-0cckk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
552 |
Terephthaldicarboxaldehyde |
C6H4-14-(CHO)2 |
C8H6O2 |
O 1s |
tq-0ookk.os |
HUR92 |
J. Phys. Chem. 96 (92) 8736. |
553 |
Trifluoroethylene |
CF2=CHF |
C2F3H |
C 1s |
tr-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
554 |
Trifluoroethylene |
CF2=CHF |
C2F3H |
F 1s |
tr-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
555 |
Trifluoromethane |
CF3H |
CF3H |
C 1s |
ty-0cckk.os |
HN86 |
Hitchcock (unpublished) |
556 |
Trifluoromethane |
CF3H |
CF3H |
F 1s |
ty-0ffkk.os |
HN86 |
Hitchcock (unpublished) |
557 |
s-triazine |
C3N3H3 |
C3H3N3 |
C 1s |
tz-0cckk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
558 |
s-triazine |
C3N3H3 |
C3H3N3 |
N 1s |
tz-0nnkk.os |
AHG93 |
J. Phys. Chem. 97 (1993) 6859. |
559 |
trimethylmethoxy silane |
Me3SiOMe |
C4H12OSi |
C 1s |
ua-0cckk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
560 |
trimethylmethoxy silane |
Me3SiOMe |
C4H12OSi |
O 1s |
ua-0ookk.os |
UT+97 |
Organometallics 16 (1997) 2080. |
561 |
trimethylmethoxy silane |
Me3SiOMe |
C4H12OSi |
Si 2p |
ua-0sill.os |
UT+97 |
Organometallics 16 (1997) 2080. |
562 |
triethylsilanol |
Et3SiOH |
C6H16OSi |
C 1s |
uc-0cckk.os |
UH94a |
unpublished |
563 |
tri-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)3 |
C6H18O3Si3 |
C 1s |
ud-0cckk.os |
UH94a |
unpublished |
564 |
tri-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)3 |
C6H18O3Si3 |
O 1s |
ud-0ookk.os |
UH94a |
unpublished |
565 |
tri-cyclo-dimethylsiloxyl |
c-(O-Si(CH3)2)3 |
C6H18O3Si3 |
Si 2p |
ud-0sill.os |
UH94a |
unpublished |
566 |
tetrakis(dimethylamino)silane |
Si[NMe2]4 |
C8H24N4Si |
C 1s |
ue-0cckk.os |
UH94b |
unpublished |
567 |
tetrakis(dimethylamino)silane |
Si[NMe2]4 |
C8H24N4Si |
N 1s |
ue-0nnkk.os |
UH94b |
unpublished |
568 |
tetrakis(dimethylamino)silane |
Si[NMe2]4 |
C8H24N4Si |
Si 2p |
ue-0sill.os |
UH94b |
unpublished |
569 |
tris(trimethyl silyl)amine |
N[SiMe3]3 |
C9H27NSi3 |
C 1s |
uf-0cckk.os |
UH94b |
unpublished |
570 |
tris(trimethyl silyl)amine |
N[SiMe3]3 |
C9H27NSi3 |
N 1s |
uf-0nnkk.os |
UH94b |
unpublished |
571 |
tris(trimethyl silyl)amine |
N[SiMe3]3 |
C9H27NSi3 |
Si 2p |
uf-0sill.os |
UH94b |
unpublished |
572 |
dimethylamino trimethylsilane |
Me3Si[NMe2] |
C5H15NSi |
C 1s |
ug-0cckk.os |
UH94b |
unpublished |
573 |
dimethylamino trimethylsilane |
Me3Si[NMe2] |
C5H15NSi |
N 1s |
ug-0nnkk.os |
UH94b |
unpublished |
574 |
dimethylamino trimethylsilane |
Me3Si[NMe2] |
C5H15NSi |
Si 2p |
ug-0sill.os |
UH94b |
unpublished |
575 |
silyl triflate |
Me3SiOSO2CF3 |
C4F3H9O3SSi |
C 1s |
uh-0cckk.os |
UH94a |
unpublished |
576 |
silyl triflate |
Me3SiOSO2CF3 |
C4F3H9O3SSi |
Si 2p |
uh-0sill.os |
UH94a |
unpublished |
577 |
tetramethylsilane |
Me4Si |
C4H12Si |
C 1s |
ui-0cckk.os |
UX+94 |
Chem. Phys. 189 (1994) 757. |
578 |
tetramethylsilane |
Me4Si |
C4H12Si |
Si 2p |
ui-0sill.os |
UX+94 |
Chem. Phys. 189 (1994) 757. |
579 |
bis(dimethylamino)dimethylsilane |
Me2Si[NMe2]2 |
C6H16N2Si |
C 1s |
uj-0cckk.os |
UH+94b |
unpublished |
580 |
bis(dimethylamino)dimethylsilane |
Me2Si[NMe2]2 |
C6H16N2Si |
N 1s |
uj-0nnkk.os |
UH+94b |
unpublished |
581 |
bis(dimethylamino)dimethylsilane |
Me2Si[NMe2]2 |
C6H16N2Si |
Si 2p |
uj-0sill.os |
UH+94b |
unpublished |
582 |
tris(dimethylamino)methyl silane |
MeSi[NMe2]3 |
C7H18N3Si |
C 1s |
uk-0cckk.os |
UH+94b |
unpublished |
583 |
tris(dimethylamino)methyl silane |
MeSi[NMe2]3 |
C7H18N3Si |
N 1s |
uk-0nnkk.os |
UH+94b |
unpublished |
584 |
tris(dimethylamino)methyl silane |
MeSi[NMe2]3 |
C7H18N3Si |
Si 2p |
uk-0sill.os |
UH+94b |
unpublished |
585 |
paracarborane |
p-C2B10H12 |
B10C2H12 |
B 1s |
ul-0bbkk.os |
HR+96 |
J. Phys. Chem. B. 101 (1996) 3483. |
586 |
paracarborane |
p-C2B10H12 |
B10C2H12 |
C 1s |
ul-0cckk.os |
HR+96 |
J. Phys. Chem. B. 101 (1996) 3483. |
587 |
dimethyl phthalate |
C6H4-12-(CO2CH3)2 |
C10H10O4 |
C 1s |
um-0cckk.os |
UH+97a |
J. Phys. Chem. B. 101 (1997) 2267. |
588 |
dimethyl phthalate |
C6H4-12-(CO2CH3)2 |
C10H10O4 |
O 1s |
um-0ookk.os |
UH+97a |
J. Phys. Chem. B. 101 (1997) 2267. |
589 |
dimethyl isophthalate |
C6H4-13-(CO2CH3)2 |
C10H10O4 |
C 1s |
un-0cckk.os |
UH+97a |
J. Phys. Chem. B. 101 (1997) 2267. |
590 |
dimethyl isophthalate |
C6H4-13-(CO2CH3)2 |
C10H10O4 |
O 1s |
un-0ookk.os |
UH+97a |
J. Phys. Chem. B. 101 (1997) 2267. |
591 |
silylene |
Si(NtBuCH=CHNtBu) |
C10H20N2Si |
C 1s |
uo-0cckk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
592 |
silylene |
Si(NtBuCH=CHNtBu) |
C10H20N2Si |
N 1s |
uo-0nnkk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
593 |
silylene |
Si(NtBuCH=CHNtBu) |
C10H20N2Si |
Si 2p |
uo-0sill.os |
UH+98 |
Organometallics 17 (1998) 2352. |
594 |
TDI bis methyl urethane |
2? (MeO2CNH)2Ph-Me |
C11H13N2O4 |
C 1s |
up-0cckk.os |
GC&03 |
|
595 |
TDI bis methyl urethane |
2? (MeO2CNH)2Ph-Me |
C11H13N2O4 |
N 1s |
up-0nnkk.os |
UHR99 |
|
596 |
TDI bis methyl urethane |
2? (MeO2CNH)2Ph-Me |
C11H13N2O4 |
O 1s |
up-0ookk.os |
GC&03 |
|
597 |
unsaturated SiH2 silylene |
H2Si(NtBuCH=CHNtBu) |
C10H22N2Si |
C 1s |
uq-0cckk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
598 |
unsaturated SiH2 silylene |
H2Si(NtBuCH=CHNtBu) |
C10H22N2Si |
N 1s |
uq-0nnkk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
599 |
unsaturated SiH2 silylene |
H2Si(NtBuCH=CHNtBu) |
C10H22N2Si |
Si 2p |
uq-0sill.os |
UH+98 |
Oranometallics 17 (1998) 2352. |
600 |
Urea |
(NH2)2C=O |
CH4N2O |
C 1s |
ur-0cckk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
601 |
Urea |
(NH2)2C=O |
CH4N2O |
N 1s |
ur-0nnkk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
602 |
Urea |
(NH2)2C=O |
CH4N2O |
O 1s |
ur-0ookk.os |
UH&95b |
J. Pol. Sci. B. Pol. Phys. 33 (1995) 1603. |
603 |
saturated SiH2 silylene |
H2Si(NtBuCH2CH2NtBu) |
C10H24N2Si |
C 1s |
us-0cckk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
604 |
saturated SiH2 silylene |
H2Si(NtBuCH2CH2NtBu) |
C10H24N2Si |
N 1s |
us-0nnkk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
605 |
saturated SiH2 silylene |
H2Si(NtBuCH2CH2NtBu) |
C10H24N2Si |
Si 2p |
us-0sill.os |
UH+98 |
Organometallics 17 (1998) 2352. |
606 |
saturated silylene |
Si(NtBuCH2CH2NtBu) |
C10H22N2Si |
C 1s |
ut-0cckk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
607 |
saturated silylene |
Si(NtBuCH2CH2NtBu) |
C10H22N2Si |
N 1s |
ut-0nnkk.os |
UH+98 |
Organometallics 17 (1998) 2352. |
608 |
saturated silylene |
Si(NtBuCH2CH2NtBu) |
C10H22N2Si |
Si 2p |
ut-0sill.os |
UH+98 |
Organometallics 17 (1998) 2352. |
609 |
1-azido adamantane |
N3-C915 |
C9H15N3 |
C 1s |
uu-0cckk.os |
UP |
UP |
610 |
1-azido adamantane |
N3-C915 |
C9H15N3 |
N 1s |
uu-0nnkk.os |
UP |
UP |
611 |
azido trimethylsilane |
(CH3)3Si-N3 |
C3H9N3Si |
C 1s |
uw-0cckk.os |
UP |
|
612 |
azido trimethylsilane |
(CH3)3Si-N3 |
C3H9N3Si |
N 1s |
uw-0nnkk.os |
UP |
|
613 |
trimethylsilyloxy-N=CMe2 |
Me3SiON=C(Me)2 |
C6H18NOSi |
C 1s |
ux-0cckk.os |
UH+94b |
unpublished |
614 |
trimethylsilyloxy-N=CMe2 |
Me3SiON=C(Me)2 |
C6H18NOSi |
O 1s |
ux-0ookk.os |
UH+94b |
unpublished |
615 |
trimethylsilyloxy-N=CMe2 |
Me3SiON=C(Me)2 |
C6H18NOSi |
Si 2p |
ux-0sill.os |
UH+94b |
unpublished |
616 |
tolylene 24 diisocyanate |
CH3C6H3(NCO)2 |
C9H6N2O2 |
C 1s |
uy-0cckk.os |
UHR99 |
|
617 |
tolylene 24 diisocyanate |
CH3C6H3(NCO)2 |
C9H6N2O2 |
N 1s |
uy-0nnkk.os |
UHR99 |
|
618 |
tolylene 24 diisocyanate |
CH3C6H3(NCO)2 |
C9H6N2O2 |
O 1s |
uy-0ookk.os |
UHR99 |
|
619 |
n-methyl aniline |
CH3NH-C6H5 |
C7H9N |
C 1s |
uz-0cckk.os |
UH96 |
unpublished |
620 |
n-methyl aniline |
CH3NH-C6H5 |
C7H9N |
N 1s |
uz-0nnkk.os |
UH96 |
unpublished |
621 |
DABCO 14diazabicyclo[222]octane |
C6H12N2 |
C6H12N2 |
C 1s |
va-0cckk.os |
RUH95 |
unpublished |
622 |
DABCO 14diazabicyclo[222]octane |
C6H12N2 |
C6H12N2 |
N 1s |
va-0nnkk.os |
RUH95 |
unpublished |
623 |
tolylene 2 6 diisocyanate |
CH3C6H3(NCO2) |
C9H6N2O2 |
C 1s |
vb-0cckk.os |
UHR99 |
unpublished |
624 |
tolylene 26 diisocyanate |
CH3C6H3(NCO2) |
C9H6N2O2 |
N 1s |
vb-0nnkk.os |
UHR99 |
unpublished |
625 |
tolylene 2 6 diisocyanate |
CH3C6H3(NCO2) |
C9H6N2O2 |
O 1s |
vb-0ookk.os |
UHR99 |
unpublished |
626 |
dimethyltetrafluorobenzeocyclobutane |
C10H8F4 |
C10F4H8 |
C 1s |
ve-0cckk.os |
UH96 |
unpublished |
627 |
Vinylfluoride |
CH2CHF |
C2FH3 |
C 1s |
vf-0cckk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
628 |
Vinylfluoride |
CH2CHF |
C2FH3 |
F 1s |
vf-0ffkk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
629 |
1234-tetrahydro-1-naphthyl-amine |
C10H12N |
C10H12N |
C 1s |
vg-0cckk.os |
UP |
|
630 |
1234-tetrahydro-1-naphthyl-amine |
C10H12N |
C10H12N |
N 1s |
vg-0nnkk.os |
UP |
|
631 |
o-xylene |
Me-Ph-Me |
C8H10 |
C 1s |
vh-0cckk.os |
EH+98 |
J. El. Spec. 94 (1998) 243. |
632 |
m-xylene |
Me-Ph-Me |
C8H10 |
C 1s |
vi-0cckk.os |
EH+98 |
J. El. Spec. 94 (1998) 243. |
633 |
p-xylene |
Me-Ph-Me |
C8H10 |
C 1s |
vj-0cckk.os |
EH+98 |
J. El. Spec. 94 (1998) 243. |
634 |
Benzoic Anhydride |
C14H10O3 |
C14H10O3 |
C 1s |
vk-0cckk.os |
LUH97 |
unpublished |
635 |
anisole |
Ph-O-Me |
C7H8O |
C 1s |
vl-0cckk.os |
UH97 |
unpublished |
636 |
anisole |
Ph-O-Me |
C7H8O |
O 1s |
vl-0ookk.os |
UH97 |
unpublished |
637 |
Carbene saturated H2(methyl) |
C5H12N2 |
C5H12N2 |
N 1s |
vm-0nnkk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
638 |
Vinyl benzoate |
C9H8O2 |
C9H8O2 |
C 1s |
vn-0cckk.os |
LUH97 |
unpublished |
639 |
Vinyl benzoate |
C9H8O2 |
C9H8O2 |
O 1s |
vn-0ookk.os |
LUH97 |
unpublished |
640 |
trimethylethoxysilane |
(CH3)3Si(OC2H5) |
C5H14OSi |
C1s |
VQB-0CCKK.OS |
TC&02 |
|
641 |
trimethylethoxysilane |
(CH3)3Si(OC2H5) |
C5H14OSi |
01s |
VQB-0OOKK.OS |
TC&02 |
|
642 |
trimethylethoxysilane |
(CH3)3Si(OC2H5) |
C5H14OSi |
Si2p 2s |
VQB-0SILL.OS |
TC&02 |
|
643 |
vinyltriacetoxysilane |
CH2=CHSi(OOCCH3)3 |
C8H12O3Si |
C1s |
VR-0CCKK.OS |
TC&02 |
|
644 |
vinyltriacetoxysilane |
CH2=CHSi(OOCCH3)3 |
C8H12O3Si |
O1s |
VR-0OOKK.OS |
TC&02 |
|
645 |
vinyltriacetoxysilane |
CH2=CHSi(OOCCH3)3 |
C8H12O3Si |
Si2p 2s |
VR-0SILL.OS |
TC&02 |
|
646 |
vinyltriethoxysilane |
CH2=CHSi(OC2H5)3 |
C8H18O3Si |
C1s |
VS-0CCKK.OS |
TC&02 |
|
647 |
vinyltriethoxysilane |
CH2=CHSi(OC2H5)3 |
C8H18O3Si |
O1s |
VS-0OOKK.OS |
TC&02 |
|
648 |
vinyltriethoxysilane |
CH2=CHSi(OC2H5)3 |
C8H18O3Si |
Si2p 2s |
VS-0SILL.OS |
TC&02 |
|
649 |
butylated-hydroxytoluene |
t-(Bu)2-Me-Bz-OH |
C15H24O |
C 1s |
vt-0cckk.os |
LUH97 |
unpublished |
650 |
butylated-hydroxytoluene |
t-(Bu)2-Me-Bz-OH |
C15H24O |
O 1s |
vt-0ookk.os |
LUH97 |
unpublished |
651 |
Vanadocene dichloride |
(C5H5)2VCl2 |
C10Cl2H10V |
C 1s |
vv-0cckk.os |
LCH03 |
unpublished |
652 |
Carbene saturated #2 |
C11H24N2 |
C11H24N2 |
C 1s |
vw-0cckk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
653 |
Carbene saturated #2 |
C11H24N2 |
C11H24N2 |
N 1s |
vw-0nnkk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
654 |
Carbene Unsaturated |
C11H20N2 |
C11H20N2 |
C 1s |
vy-0cckk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
655 |
Carbene Unsaturated |
C11H20N2 |
C11H20N2 |
N 1s |
vy-0nnkk.os |
LU+99 |
OOrganometallics 18 (1999) 1862 |
656 |
Carbene saturated |
C11H20N2 |
C11H20N2 |
C 1s |
vz-0cckk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
657 |
Carbene saturated |
C11H20N2 |
C11H20N2 |
N 1s |
vz-0nnkk.os |
LU+99 |
Organometallics 18 (1999) 1862 |
658 |
Water |
H2O |
H2O |
O 1s |
wa-0ookk.os |
MI&87 |
J.Chem.Phys. 87 (87) 4344. |
659 |
Dimethyl cyclobutene |
C6H10 |
C6H10 |
C 1s |
ya-0cckk.os |
EL+98 |
unpublished |
660 |
cis-tetramethylcyclobutene |
C8H14 |
C8H14 |
C 1s |
yc-0cckk.os |
EL+98 |
unpublished |
661 |
111-trifluoropropyne |
CF3CCH |
C3F3H |
C 1s |
yf-0cckk.os |
HS90 |
unpublished |
662 |
111-trifluoropropyne |
CF3CCH |
C3F3H |
F 1s |
yf-0ffkk.os |
HS90 |
unpublished |
663 |
NNN-tritolyl isocyanurate |
C24H21N3O3 |
C24H21N3O3 |
C 1s |
YI-0CCKK.OS |
UA&99 |
|
664 |
NN-di(t-butyl)ethylenediamine |
C10H24N2 |
C10H24N2 |
C 1s |
yl-0cckk.os |
LU&99 |
|
665 |
NN-di(t-butyl)ethylenediamine |
C10H24N2 |
C10H24N2 |
N 1s |
yl-0nnkk.os |
LU&99 |
|
666 |
trans-tetramethylcyclobutene |
C8H14 |
C8H14 |
C 1s |
yt-0cckk.os |
EL+98 |
unpublished |
667 |
Phthalocyanine |
C32H16N8 |
C32H16N8 |
C 1s |
zc-0cckk.os |
RSH93 |
unpublished |
668 |
iron-phthalocyanine |
Fe-C32H16N8 |
C32H16N8Fe |
C 1s |
zf-0cckk.os |
RSH93 |
unpublished |
669 |
nickel-phthalocyanine |
Ni-C32H16N8 |
C32H16NiN8 |
C 1s |
zn-0cckk.os |
RSH93 |
unpublished |
670 |
nickel-phthalocyanine |
Ni-C32H16N8 |
C32H16NiN8 |
N 1s |
zn-0nnkk.os |
RSH93 |
unpublished |
671 |
zinc-phthalocyanine |
Zn-C32H16N8 |
C32H16N8Zn |
C 1s |
zz-0cckk.os |
RSH92 |
unpublished |