Carbon disulfide anion


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
Δfgas22.1 ± 2.3kcal/molR-EAChowdhury, Heinis, et al., 1986ΔGea(423 K) = -12.7 kcal/mol; ΔSea (estimated) = +2.0 eu.

Reaction 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 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

CS2- + Carbon disulfide = (CS2- • Carbon disulfide)

By formula: CS2- + CS2 = (CS2- • CS2)

Quantity Value Units Method Reference Comment
Δr21.9 ± 1.5kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Δr4.4 ± 1.1kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr4.10 ± 0.60kcal/molLPESBowen and Eaton, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr30.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr13.0 ± 2.5kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(CS2- • Carbon disulfide) + Carbon disulfide = (CS2- • 2Carbon disulfide)

By formula: (CS2- • CS2) + CS2 = (CS2- • 2CS2)

Quantity Value Units Method Reference Comment
Δr4.60 ± 0.70kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr6.4 ± 1.4kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr0.1 ± 3.3kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(CS2- • 3Carbon disulfide) + Carbon disulfide = (CS2- • 4Carbon disulfide)

By formula: (CS2- • 3CS2) + CS2 = (CS2- • 4CS2)

Quantity Value Units Method Reference Comment
Δr2.3 ± 6.7kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

(CS2- • 4Carbon disulfide) + Carbon disulfide = (CS2- • 5Carbon disulfide)

By formula: (CS2- • 4CS2) + CS2 = (CS2- • 5CS2)

Quantity Value Units Method Reference Comment
Δr1.8 ± 6.6kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

(CS2- • 2Carbon disulfide) + Carbon disulfide = (CS2- • 3Carbon disulfide)

By formula: (CS2- • 2CS2) + CS2 = (CS2- • 3CS2)

Quantity Value Units Method Reference Comment
Δr-23.40kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

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

CS2- + Carbon disulfide = (CS2- • Carbon disulfide)

By formula: CS2- + CS2 = (CS2- • CS2)

Quantity Value Units Method Reference Comment
Δr21.9 ± 1.5kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Δr4.4 ± 1.1kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr4.10 ± 0.60kcal/molLPESBowen and Eaton, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr30.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr13.0 ± 2.5kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(CS2- • Carbon disulfide) + Carbon disulfide = (CS2- • 2Carbon disulfide)

By formula: (CS2- • CS2) + CS2 = (CS2- • 2CS2)

Quantity Value Units Method Reference Comment
Δr4.60 ± 0.70kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr6.4 ± 1.4kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr0.1 ± 3.3kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(CS2- • 2Carbon disulfide) + Carbon disulfide = (CS2- • 3Carbon disulfide)

By formula: (CS2- • 2CS2) + CS2 = (CS2- • 3CS2)

Quantity Value Units Method Reference Comment
Δr-23.40kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

(CS2- • 3Carbon disulfide) + Carbon disulfide = (CS2- • 4Carbon disulfide)

By formula: (CS2- • 3CS2) + CS2 = (CS2- • 4CS2)

Quantity Value Units Method Reference Comment
Δr2.3 ± 6.7kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

(CS2- • 4Carbon disulfide) + Carbon disulfide = (CS2- • 5Carbon disulfide)

By formula: (CS2- • 4CS2) + CS2 = (CS2- • 5CS2)

Quantity Value Units Method Reference Comment
Δr1.8 ± 6.6kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

Vibrational and/or electronic energy levels

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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: 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

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