Carbon disulfide anion
- Formula: CS2-
- Molecular weight: 76.141
- CAS Registry Number: 12122-00-8
- Information on this page:
- Options:
Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, 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: John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 22.1 ± 2.3 | kcal/mol | R-EA | Chowdhury, Heinis, et al., 1986 | ΔGea(423 K) = -12.7 kcal/mol; ΔSea (estimated) = +2.0 eu. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, 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
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: CS2- + CS2 = (CS2- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.9 ± 1.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | 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, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.0 ± 2.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | 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 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.1 ± 3.3 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | gas phase; 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: (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 |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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
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° | 21.9 ± 1.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | 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, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.0 ± 2.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | 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 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.1 ± 3.3 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | 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 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Reaction 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, Reaction 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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References
- 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.