Carbon disulfide anion
- Formula: CS2-
- Molecular weight: 76.141
- CAS Registry Number: 12122-00-8
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 92.5 ± 9.6 | kJ/mol | R-EA | Chowdhury, Heinis, et al., 1986 | ΔGea(423 K) = -12.7 kcal/mol; ΔSea (estimated) = +2.0 eu. |
Ion clustering data
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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
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: 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: (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: (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 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Ion clustering data, 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: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
b2 | 3 | Asym. stretch | 1159.4 | Ne | IR | Halasinski, Godbout, et al., 1996 Zhou and Andrews, 2000 | |
3 | Asym. stretch | 1160.4 | Ar | IR | Zhou and Andrews, 2000 | ||
Additional references: Jacox, 1998, page 194; Jacox, 2003, page 135
References
Go To: Top, Gas phase thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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-,
J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037
. [all data]
Hiraoka, Fujimaki, et al., 1994
Hiraoka, K.; Fujimaki, S.; Aruga, K.,
Frontier-controlled Structures of the Gas Phas Clusters A+/-(CS2)n, A+/- = S2+, CS2+, S2-, and CS2-,
J. Phys. Chem. (1994), 1994, 98, 7, 1802-1809, https://doi.org/10.1021/j100058a014
. [all data]
Tsukuda, Hirose, et al., 1997
Tsukuda, T.; Hirose, T.; Nagata, T.,
Negative-ion photoelectron spectroscopy of (CS2)(n)(-): coexistence of electronic isomers,
Chem. Phys. Lett., 1997, 279, 3-4, 179-184, https://doi.org/10.1016/S0009-2614(97)01021-X
. [all data]
Bowen and Eaton, 1988
Bowen, K.H.; Eaton, J.G.,
Photodetachment Spectroscopy of Negative Cluster Ions,
in The Structure of Small Molecules and Ions, Ed. R. Naaman, Z. Vager, Plenum NY, 1988, 1988, p.147-169. [all data]
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-,
J. Phys. Chem., 1994, 98, 7, 1802, https://doi.org/10.1021/j100058a014
. [all data]
Halasinski, Godbout, et al., 1996
Halasinski, T.M.; Godbout, J.T.; Allison, J.; Leroi, G.E.,
Matrix Isolation and Cold Diffusion of Mass-Selected CS,
J. Phys. Chem., 1996, 100, 36, 14865, https://doi.org/10.1021/jp960862f
. [all data]
Zhou and Andrews, 2000
Zhou, M.; Andrews, L.,
Infrared spectra of the CS[sub 2][sup -], CS[sub 2][sup +], and C[sub 2]S[sub 4][sup +] molecular ions in solid neon and argon,
J. Chem. Phys., 2000, 112, 15, 6576, https://doi.org/10.1063/1.481230
. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Notes
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- Symbols used in this document:
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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