Carbon disulfide
- Formula: CS2
- Molecular weight: 76.141
- IUPAC Standard InChI: InChI=1S/CS2/c2-1-3
- IUPAC Standard InChIKey: QGJOPFRUJISHPQ-UHFFFAOYSA-N
- CAS Registry Number: 75-15-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Carbon bisulfide; Carbon sulfide (CS2); Dithiocarbonic anhydride; CS2; Carbon sulfide; Carbon-disulphide-; Carbon bisulphide; Carbon sulphide; Kohlendisulfid; Koolstofdisulfide; NCI-C04591; Rcra waste number P022; Schwefelkohlenstoff; Solfuro di carbonio; Sulphocarbonic anhydride; UN 1131; Weeviltox; Wegla dwusiarczek; Alcohol of sulfur; Carbon bisulfuret; Methyl disulfide; Sulfocarbonic anhydride
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Gas phase ion energetics data
Go To: Top, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to CS2+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 10.073 ± 0.005 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 163.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 157.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.5525 ± 0.0013 | N/A | Cavanagh, Gibson, et al., 2012 | poor Franck-Condon overlap makes previous LPES studies too bound; B |
| 0.580 ± 0.050 | LPES | Misaizu, Tsunoyama, et al., 2004 | Vertical Detachment Energy: 1.27±0.10 eV; B |
| 0.51 ± 0.10 | IMRE | Chowdhury, Heinis, et al., 1986 | ΔGea(423 K) = -12.7 kcal/mol; ΔSea (estimated) = +2.0 eu.; B |
| <0.799982 | LPES | Scheidt and Weinkauf, 1997 | B |
| 0.000694 | N/A | Compton, Dunning, et al., 1996 | Quadrupole-bound state; B |
| 0.60 ± 0.10 | ECD | Chen and Wentworth, 1983 | B |
| 0.50 ± 0.20 | Endo | Hughes, Lifschitz, et al., 1973 | B |
| 1.460 ± 0.020 | LPES | Tsukuda, Hirose, et al., 1997 | EA given is Vertical Detachment Energy. Poor Franck-Condon overlap; B |
| 0.89 ± 0.20 | LPES | Oakes and Ellison, 1986 | The discrepancy with equilibrium has not been resolved. Poor Franck-Condon overlap.; B |
| 1.00 ± 0.20 | NBIE | Compton, Reinhardt, et al., 1975 | B |
| 0.94 ± 0.32 | IMRB | Kraus, Muller-Duysing, et al., 1961 | Between NH2-, C-; B |
Ionization energy determinations
Appearance energy determinations
Ion clustering data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: Br- + CS2 = (Br- • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.30 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13.0 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.4 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Br- • CS2) + CS2 = (Br- • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.30 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.4 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: CHS2+ + CS2 = (CHS2+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.0 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
| ΔrH° | 11.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 14.5 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
| ΔrS° | 26.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (CHS2+ • CS2) + CS2 = (CHS2+ • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.7 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 14.3 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
+
= (
•
)
By formula: CH3+ + CS2 = (CH3+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 60.2 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: CS+ + CS2 = (CS+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36.0 | kcal/mol | PI | Ono, Linn, et al., 1981 | gas phase; M |
By formula: CS2+ + CS2 = (CS2+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 24.9 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
| ΔrH° | 21.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
| ΔrH° | 17.5 | kcal/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
| ΔrS° | 21.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (CS2+ • CS2) + CS2 = (CS2+ • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.5 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
| ΔrH° | 4.4 | kcal/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
By formula: (CS2+ • 2CS2) + CS2 = (CS2+ • 3CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.9 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
| ΔrH° | 3.9 | kcal/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: (CS2+ • 3CS2) + CS2 = (CS2+ • 4CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.6 | kcal/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
By formula: CS2- + CS2 = (CS2- • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.9 ± 1.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; B,M |
| ΔrH° | 4.4 ± 1.1 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
| ΔrH° | 4.10 ± 0.60 | kcal/mol | LPES | Bowen and Eaton, 1988 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 30. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 13.0 ± 2.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; B |
By formula: (CS2- • CS2) + CS2 = (CS2- • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.60 ± 0.70 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
| ΔrH° | 6.4 ± 1.4 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.1 ± 3.3 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; B |
By formula: (CS2- • 2CS2) + CS2 = (CS2- • 3CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -23.40 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
By formula: (CS2- • 3CS2) + CS2 = (CS2- • 4CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.3 ± 6.7 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
By formula: (CS2- • 4CS2) + CS2 = (CS2- • 5CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.8 ± 6.6 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
By formula: C6H6+ + CS2 = (C6H6+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
+
= (
•
)
By formula: Cl- + CS2 = (Cl- • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| ΔrH° | 11.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13.9 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| ΔrS° | 20. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.6 ± 2.2 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
| ΔrG° | 5.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
( •
) +
= (
• 2
)
By formula: (Cl- • CS2) + CS2 = (Cl- • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.70 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.0 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2CS2) + CS2 = (Cl- • 3CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.3 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3CS2) + CS2 = (Cl- • 4CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -0.1 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
+
= (
•
)
By formula: F- + CS2 = (F- • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 35.0 ± 1.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| ΔrH° | 31.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 28.2 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 26.5 ± 1.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
| ΔrG° | 24.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (F- • CS2) + CS2 = (F- • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.70 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.3 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (F- • 2CS2) + CS2 = (F- • 3CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.4 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.3 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
+
= (
•
)
By formula: Fe+ + CS2 = (Fe+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 39.7 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
( •
) +
= (
• 2
)
By formula: (Fe+ • CS2) + CS2 = (Fe+ • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 44.9 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
+
= (
•
)
By formula: I- + CS2 = (I- • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.40 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 16.7 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.4 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (I- • CS2) + CS2 = (I- • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
+
= (
•
)
By formula: Mo+ + CS2 = (Mo+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.1 ± 3.0 | kcal/mol | CIDT | Schroeder, Kretzschmar, et al., 2003 | RCD |
+
= (
•
)
By formula: S+ + CS2 = (S+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 39.7 | kcal/mol | PI | Gress, Linn, et al., 1980 | gas phase; M |
By formula: S2+ + CS2 = (S2+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 30.9 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
| ΔrH° | 28.8 | kcal/mol | PI | Ono, Linn, et al., 1981 | gas phase; M |
| ΔrH° | 21.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; equilibrium uncertain; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
| ΔrS° | 17.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; equilibrium uncertain; M |
By formula: (S2+ • CS2) + CS2 = (S2+ • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.3 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
By formula: (S2+ • 2CS2) + CS2 = (S2+ • 3CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.5 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: S2- + CS2 = (S2- • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.1 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; M |
By formula: (S2- • CS2) + CS2 = (S2- • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.1 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: V+ + CS2 = (V+ • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.2 ± 3.0 | kcal/mol | CIDT | Schroeder, Kretzschmar, et al., 2003 | RCD |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1990. |
| NIST MS number | 118705 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-5 | 100. | 564.4 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
| Capillary | DB-5 | 120. | 576.0 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
| Capillary | DB-5 | 60. | 558.0 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
| Capillary | DB-5 | 80. | 557.3 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
| Packed | SE-30 | 42. | 539. | Rudenko, Mal'tsev, et al., 1985 | Column length: 3. m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-1 | 512. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-20 | 733. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 544. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
| Capillary | CP Sil 8 CB | 538. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 568. | Beaulieu and Grimm, 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 745. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 701. | Bianchi, Cantoni, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) |
| Capillary | Supelcowax-10 | 701. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
| Capillary | CP-Wax 52CB | 751. | Condurso, Verzera, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
| Capillary | Carbowax 20M | 780. | Whitfield, Shea, et al., 1981 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 100. | 564. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 60. | 558. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 80. | 557. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 517. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
| Capillary | HP-5 MS | 536. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
| Capillary | OV-101 | 530. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | PONA | 537. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm, 2. K/min; Tstart: 30. C; Tend: 150. C |
| Capillary | PONA | 537. | Yang, Yang, et al., 2003 | 50. m/0.20 mm/0.50 μm, Helium, 2. K/min; Tstart: 30. C; Tend: 170. C |
| Capillary | SPB-5 | 533. | Pérès, Begnaud, et al., 2002 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 5. min |
| Capillary | HP-5 | 536. | García, Martín, et al., 2000 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | DB-1 | 517. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
| Capillary | OV-101 | 512. | del Rosario, de Lumen, et al., 1984 | He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 540. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | VF-5 | 569. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) |
| Capillary | VF-5 | 568. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 | 544. | Pugliese, Sirtori, et al., 2009 | 50. m/0.32 mm/1.05 μm, Helium; Program: not specified |
| Capillary | HP-1 | 515. | Barra, Baldovini, et al., 2007 | 50. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) |
| Capillary | DB-5 MS | 517. | Liu, Xu, et al., 2007 | 60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
| Capillary | HP-5 | 534. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
| Capillary | DB-5 | 534. | Garcia-Estaban, Ansorena, et al., 2004, 2 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
| Capillary | BPX-5 | 549. | Machiels, Istasse, et al., 2004 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
| Capillary | RTX-5 MS | 549. | Machiels and Istasse, 2003 | 60. m/0.25 mm/0.5 μm, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min) |
| Capillary | PONA | 537. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm; Program: not specified |
| Capillary | Methyl phenyl siloxane (not specified) | 536. | Poligne, Collignan, et al., 2002 | Program: not specified |
| Capillary | DB-5 MS | 561. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
| Capillary | Polydimethyl siloxanes | 530. | Zenkevich, 2001 | Program: not specified |
| Capillary | SPB-1 | 527. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | SPB-1 | 518. | Nedjma and Maujean, 1995 | 30. m/0.32 mm/4. μm, H2; Program: 35(1)-10 -> 55-25 ->250 |
| Capillary | Methyl Silicone | 524. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
| Capillary | DB-1 | 513. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
| Capillary | DB-1 | 514. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
| Capillary | SPB-1 | 527. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
| Capillary | SPB-1 | 524. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
| Capillary | CP Sil 8 CB | 539. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
| Capillary | OV-1 | 524. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 710. | Ganeko, Shoda, et al., 2008 | 4. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C |
| Capillary | TC-Wax | 735. | Ishikawa, Ito, et al., 2004 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polyethylene Glycol | 748. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
| Capillary | Carbowax 20M | 745. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Frontier-Controlled Structures of the Gas-Phase A+-(CS2)n Clusters ,A+- = S2+, CS2+, S2-, and CS2-,
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. [all data]
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Frontier-controlled Structures of the Gas Phas Clusters A+/-(CS2)n, A+/- = S2+, CS2+, S2-, and CS2-,
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Bowen and Eaton, 1988
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Notes
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- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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