Carbon disulfide
- Formula: CS2
- Molecular weight: 76.141
- 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 thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 116.94 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
ΔfH°gas | 117.1 ± 0.79 | kJ/mol | Ccr | Good, Lacina, et al., 1961 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -1112. | kJ/mol | Ccb | Guerin, Marthe, et al., 1949 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 237.98 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1976 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1000. | 1000. to 6000. |
---|---|---|
A | 35.85391 | 61.25292 |
B | 52.49121 | 1.378826 |
C | -40.83743 | -0.140520 |
D | 12.00155 | 0.009284 |
E | -0.224831 | -3.244044 |
F | 103.5030 | 90.07106 |
G | 266.1597 | 299.4091 |
H | 116.9432 | 116.9432 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1976 | Data last reviewed in December, 1976 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: Cl- + CS2 = (Cl- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.8 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
ΔrH° | 49.0 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 58.2 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
ΔrS° | 84. | J/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° | 19. ± 9.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
ΔrG° | 24. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
By formula: CS2- + CS2 = (CS2- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91.6 ± 6.3 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | gas phase; B,M |
ΔrH° | 18. ± 4.6 | kJ/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° | 17.2 ± 2.5 | kJ/mol | LPES | Bowen and Eaton, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 54. ± 10. | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | gas phase; B |
By formula: (CS2- • CS2) + CS2 = (CS2- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 ± 2.9 | kJ/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° | 27. ± 5.9 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 88. | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0. ± 14. | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | gas phase; B |
By formula: S2+ + CS2 = (S2+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 129. | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrH° | 120. | kJ/mol | PI | Ono, Linn, et al., 1981 | gas phase; M |
ΔrH° | 91.6 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; equilibrium uncertain; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrS° | 71.5 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; equilibrium uncertain; M |
By formula: (F- • 2CS2) + CS2 = (F- • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23. ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 71. | J/mol*K | N/A | Hiraoka, Fujimaki, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1. ± 4.2 | kJ/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° | 146. ± 6.3 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
ΔrH° | 131. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 118. | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 111. ± 6.3 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
ΔrG° | 101. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
By formula: CS2+ + CS2 = (CS2+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 104. | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrH° | 91.6 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
ΔrH° | 73.2 | kJ/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrS° | 91.6 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (CS2+ • 2CS2) + CS2 = (CS2+ • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 16. | kJ/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 71. | J/mol*K | N/A | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
By formula: (Cl- • 3CS2) + CS2 = (Cl- • 4CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.4 ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: CHS2+ + CS2 = (CHS2+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
ΔrH° | 46.4 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 60.7 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (Cl- • 2CS2) + CS2 = (Cl- • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.1 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 89.1 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3. ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (Cl- • CS2) + CS2 = (Cl- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.2 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 66.1 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13. ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (F- • CS2) + CS2 = (F- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.0 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 64.0 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (I- • CS2) + CS2 = (I- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.5 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 90.8 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.8 ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (Br- • CS2) + CS2 = (Br- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.5 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.4 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.0 ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: I- + CS2 = (I- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.0 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 69.9 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10. ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: Br- + CS2 = (Br- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.7 ± 0.84 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 54.4 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18. ± 4.2 | kJ/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (S2+ • 2CS2) + CS2 = (S2+ • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23. | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 71. | J/mol*K | N/A | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
By formula: (S2- • CS2) + CS2 = (S2- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26. | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
By formula: (CS2+ • CS2) + CS2 = (CS2+ • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27. | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrH° | 18. | kJ/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 88. | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
By formula: CH3+ + CS2 = (CH3+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 252. | kJ/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M |
By formula: (CS2- • 3CS2) + CS2 = (CS2- • 4CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. ± 28. | kJ/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° | 8. ± 28. | kJ/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- • 2CS2) + CS2 = (CS2- • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -97.91 | kJ/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: (S2+ • CS2) + CS2 = (S2+ • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35. | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
By formula: (CHS2+ • CS2) + CS2 = (CHS2+ • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 59.8 | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
By formula: S2- + CS2 = (S2- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.9 | kJ/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
By formula: C6H6+ + CS2 = (C6H6+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.0 | kJ/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: (CS2+ • 3CS2) + CS2 = (CS2+ • 4CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11. | kJ/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
By formula: (Fe+ • CS2) + CS2 = (Fe+ • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 188. ± 5.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: CS+ + CS2 = (CS+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 151. | kJ/mol | PI | Ono, Linn, et al., 1981 | gas phase; M |
By formula: S+ + CS2 = (S+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 166. | kJ/mol | PI | Gress, Linn, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44. ± 1. | kJ/mol | Cm | Gattow and Krebes, 1963 | liquid phase; ALS |
By formula: Fe+ + CS2 = (Fe+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 166. ± 5.0 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: V+ + CS2 = (V+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 114. ± 13. | kJ/mol | CIDT | Schroeder, Kretzschmar, et al., 2003 | RCD |
By formula: Mo+ + CS2 = (Mo+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67. ± 13. | kJ/mol | CIDT | Schroeder, Kretzschmar, et al., 2003 | RCD |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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 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) | 681.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 657.7 | kJ/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
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)
4, 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
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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. |
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Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118705 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
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Hiraoka, Fujimaki, et al., 1993
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Bond Strengths of the Gas-Phase Cluster Ions X-(CS2)n (X = F, Cl, Br and I),
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Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
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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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Photodetachment Spectroscopy of Negative Cluster Ions,
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Hiraoka, Fujimaki, et al., 1994, 2
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S.,
Frontier-Controlled Structures of the Gas-Phase A+-(CS2)n Clusters ,A+- = S2+, CS2+, S2-, and CS2-,
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Ono, Y.; Linn, S.H.; Prest, H.F.; Gress, M.E.; Ng, C.Y.,
A Study of the High Rydberg State and Ion - Molecule Reactions of Carbon Disulfide Using the Molecular Beam Photoionization Method,
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Meot-Ner (Mautner) and Field, 1977
Meot-Ner (Mautner), M.; Field, F.H.,
Proton Affinity and Ion - Molecule Clustering in CO2 and CS2. Applications in Martian Ionospheric Chemistry,
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Ono, Linn, et al., 1980
Ono, Y.; Linn, S.H.; Prest, H.F.; Gress, M.E.; Ng, C.Y.,
Molecular beam photoionization study of carbon disulfide, carbon disulfide dimer and clusters,
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Hiraoka, Fujimaki, et al., 1993, 2
Hiraoka, K.; Fujimaki, S.; Aruga, K.,
Proton-Held Dimer and Trimer of Carbon Disulfide,
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McMahon, Heinis, et al., 1988
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Methyl Cation Affinities,
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Foster, M.S.; Williamson, A.D.; Beauchamp, J.L.,
Photoionization mass spectrometry of trans-azomethane,
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Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H.,
Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies,
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Rodgers and Armentrout, 2000
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Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation,
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Gress, Linn, et al., 1980
Gress, M.E.; Linn, S.H.; Ono, Y.; Prest, H.F.; Ng, C.Y.,
A Study of the Chemiionization Process CS2*(n) + CS2 ---> CS3+ + CS + e- Using the Molecular Beam Photoionization Method,
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Gattow and Krebes, 1963
Gattow, V.G.; Krebes, B.,
Das kohlenstoffsulfid-di-(hydrogensulfid) SC(SH)2 und das system H2S-CS2. 2. Thermochemie des SC(SH)2,
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Schroeder, Kretzschmar, et al., 2003
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Structure, Thermochemistry, and Reactivityof MSn+ Cations (M=V,Mo; n=1-3) in the Gas Phase,
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Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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Cavanagh, Gibson, et al., 2012
Cavanagh, S.J.; Gibson, S.T.; Lewis, B.R.,
High-resolution photoelectron spectroscopy of linear - bent polyatomic photodetachment transitions: The electron affinity of CS2,
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Misaizu, Tsunoyama, et al., 2004
Misaizu, F.; Tsunoyama, H.; Yasumura, Y.; Ohshimo, K.; Ohno, K.,
Photoelectron spectroscopy and density functional theory calculation of Na-n(CS2)(-) cluster negative ions for n=1 and 2,
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Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P.,
Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-,
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Scheidt and Weinkauf, 1997
Scheidt, J.; Weinkauf, R.,
Photodetachment photoelectron spectroscopy of Perylene and CS2: Two Extreme Cases.,
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Compton, Dunning, et al., 1996
Compton, R.N.; Dunning, F.B.; Nordlander, P.,
On the binding of Electrons to CS2: Possible Role of Quadrupole-Bound States,
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Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E.,
Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state,
J. Phys. Chem., 1983, 87, 45. [all data]
Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O.,
Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H,
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Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B.,
Photoelectron spectroscopy of radical anions,
Tetrahedron, 1986, 42, 6263. [all data]
Compton, Reinhardt, et al., 1975
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D.,
Collisional ionization of Na, K, and Cs by CO2, COS, and CS2: Molecular electron affinities,
J. Chem. Phys., 1975, 63, 3821. [all data]
Kraus, Muller-Duysing, et al., 1961
Kraus, K.; Muller-Duysing, W.; Neuert, H.,
Uber Stosse Langsamer Negativer Ionen mit Ladungsubertragung,
Z. Naturfor., 1961, 16A, 1385. [all data]
Fischer, Lochschmidt, et al., 1993
Fischer, I.; Lochschmidt, A.; Strobel, A.; Niedner-Schatteburg, G.; Muller-Dethlefs, K.; Bondybey, V.E.,
The non-resonant two-photon zero kinetic energy photoelectron spectrum of CS2,
Chem. Phys. Lett., 1993, 202, 542. [all data]
Wang, Reutt, et al., 1988
Wang, L.; Reutt, J.E.; Lee, Y.T.; Shirley, D.A.,
High resolution UV photoelectron spectroscopy of CO2, COS, and CS2 using supersonic molecular beams,
J. Electron Spectrosc. Relat. Phenom., 1988, 47, 167. [all data]
Reineck, Wannberg, et al., 1984
Reineck, I.; Wannberg, B.; Veenhuizen, H.; Nohre, C.; Maripuu, R.; Norell, K.-E.; Mattsson, L.; Karlsson, L.; Siegbahn, K.,
Inelastic scattering and satellite fine structure in the high-resolution UV photoelectron spectrum of CS2,
J. Electron Spectrosc. Relat. Phenom., 1984, 34, 235. [all data]
Carnovale, Hitchcock, et al., 1982
Carnovale, F.; Hitchcock, A.P.; Cook, J.P.D.; Brion, C.E.,
Absolute dipole oscillator strengths for molecular and dissociative photoionization of Cos(10 - 50eV) and CS2(10 - 40eV),
Chem. Phys., 1982, 66, 249. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
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Potts and Fattahallah, 1980
Potts, A.W.; Fattahallah, G.H.,
High-resolution ultraviolet photoelectron spectroscopy of CO2, COS and CS2,
J. Phys. B:, 1980, 13, 2545. [all data]
Miletic, Eres, et al., 1980
Miletic, M.; Eres, D.; Veljkovic, M.; Zmbov, K.F.,
Mass spectrometric study of the ionization and fragmentation of carbon disulphide by monoenergetic electron impact,
Int. J. Mass Spectrom. Ion Phys., 1980, 35, 231. [all data]
Hubin-Franskin, Marmet, et al., 1980
Hubin-Franskin, M.-J.; Marmet, P.; Huard, D.,
Excitation and ionization of OCS and CS2 by electron impact,
Int. J. Mass Spectrom. Ion Phys., 1980, 33, 311. [all data]
Hubin-Franskin, Delwiche, et al., 1980
Hubin-Franskin, M.-J.; Delwiche, J.; Natalis, P.; Caprace, G.; Roy, D.,
On the photoelectron spectrum of CS2,
J. Electron Spectrosc. Relat. Phenom., 1980, 18, 295. [all data]
Trott, Blais, et al., 1979
Trott, W.M.; Blais, N.C.; Walters, E.A.,
Photoionization of carbon disulfide monomers and dimers in a supersonic molecular beam,
J. Chem. Phys., 1979, 71, 1692. [all data]
Coppens, Reynaert, et al., 1979
Coppens, P.; Reynaert, J.C.; Drowart, J.,
Mass spectrometric study of the photoionization of carbon disulphide in the wavelength interval 125-60nm,
J. Chem. Soc. Faraday Trans. 2, 1979, 75, 292. [all data]
Frey, Gotchev, et al., 1978
Frey, R.; Gotchev, B.; Peatman, W.B.; Pollak, H.; Schlag, E.W.,
Photoionization resonance study of the X(2π), A(2π), B(2Σ+) and C(2Σ+) states of CS2+ and COS+,
Int. J. Mass Spectrom. Ion Phys., 1978, 26, 137. [all data]
Drowart, Smets, et al., 1978
Drowart, J.; Smets, J.; Reynaert, J.C.; Coppens, P.,
Mass spectrometric study of the photoionization of inorganic gases vapours,
Adv. Mass Spectrom., 1978, 7, 647. [all data]
Hildenbrand, 1975
Hildenbrand, D.L.,
Vertical ionization potential of the CF2 radical,
Chem. Phys. Lett., 1975, 32, 30. [all data]
Natalis, 1973
Natalis, P.,
Contribution a la spectroscopie photoelectronique. Effets de l'autoionisation dans less spectres photoelectroniques de molecules diatomiques et triatomiques,
Acad. R. Belg. Mem. Cl. Sci. Collect. 8, 1973, 41, 1. [all data]
Frost, Lee, et al., 1973
Frost, D.C.; Lee, S.T.; McDowell, C.A.,
Photoelectron spectra of OCSe, SCSe, and CSe2,
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Kroto and Suffolk, 1972
Kroto, H.W.; Suffolk, R.J.,
The photoelectron spectrum of an unstable species in the pyrolysis products of dimethyldisulphide,
Chem. Phys. Lett., 1972, 15, 545. [all data]
Hildenbrand, 1972
Hildenbrand, D.L.,
Thermochemistry of the molecules CS and CS+,
Chem. Phys. Lett., 1972, 15, 379. [all data]
Brundle and Turner, 1969
Brundle, C.R.; Turner, D.W.,
Studies on the photoionisation of the linear triatomic molecules: N2O, COS, CS2 and CO2 using high-resolution photoelectron spectroscopy,
Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 195. [all data]
Momigny and Delwiche, 1968
Momigny, J.; Delwiche, J.,
Photoionisation et impact electronique dans le disulfure de carbone,
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Eland and Danby, 1968
Eland, J.H.D.; Danby, C.J.,
Photoelectron spectra and ionic structure of carbon dioxide, carbon disulphide and sulphur dioxide,
Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 111. [all data]
Dibeler and Walker, 1967
Dibeler, V.H.; Walker, J.A.,
Mass spectrometric study of the photoionization of small polyatomic molecules,
Advan. Mass Spectrom., 1967, 4, 767. [all data]
Tanaka, Jursa, et al., 1960
Tanaka, Y.; Jursa, A.S.; LeBlanc, F.J.,
Higher ionization potentials of linear triatomic molecules. II. CS2, COS, and N2O,
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Price and Simpson, 1938
Price, W.C.; Simpson, D.M.,
The absorption spectra of sulphur dioxide and carbon disulphide in the vacuum ultra-violet,
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Schweig and Thiel, 1974
Schweig, A.; Thiel, W.,
Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds,
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Potts and Williams, 1974
Potts, A.W.; Williams, T.A.,
The observation of "forbidden" transitions in He II photoelectron spectra,
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Ferreira and Fronteira_e_Silva, 1970
Ferreira, M.A.A.; Fronteira_e_Silva, M.E.,
Ionizacao e dissociacao do di-sulfureto decarbono por impacto electonico,
Rev. Port. Quim., 1970, 12, 70. [all data]
Cuthbert, Farren, et al., 1968
Cuthbert, J.; Farren, J.; PrahalladaRao, B.S.; Preece, E.R.,
Sequential mass spectrometry. III. Ions and fragments from carbon dioxide anddisulphide,
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Hubin-Franskin, Huard, et al., 1978
Hubin-Franskin, M.J.; Huard, D.; Marmet, P.,
On the heat of formation of CS from CS2 and OCS,
Int. J. Mass Spectrom. Ion Phys., 1978, 27, 263. [all data]
Hubin-Franskin, Locht, et al., 1976
Hubin-Franskin, M.-J.; Locht, R.; Katihabwa, J.,
Dissociative ionization of carbon disulphide in the gas phase. Heat of formation of the CS radical,
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Momigny, Mathieu, et al., 1973
Momigny, J.; Mathieu, G.; Wankenne, H.; Ferreira, M.A.A.,
Collision and non-collision induced predissociation in the appearance of S+ and CS+ ions from CS2 under electron impact,
Chem. Phys. Lett., 1973, 21, 606. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions 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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