ClCHCN anion
- Formula: C2HClN-
- Molecular weight: 74.490
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Gas phase ion energetics 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
Protonation reactions
C2HClN- + =
By formula: C2HClN- + H+ = C2H2ClN
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 357.7 ± 2.2 | kcal/mol | G+TS | Poutsma, Upshaw, et al., 2002 | gas phase |
| ΔrH° | 348.2 ± 6.9 | kcal/mol | EIAE | Hacaloglu, Suzer, et al., 1988 | gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 350.0 ± 2.0 | kcal/mol | IMRB | Poutsma, Upshaw, et al., 2002 | gas phase |
| ΔrG° | 341.6 ± 7.8 | kcal/mol | H-TS | Hacaloglu, Suzer, et al., 1988 | gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB. |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Poutsma, Upshaw, et al., 2002
Poutsma, J.C.; Upshaw, S.D.; Squires, R.R.; Wenthold, P.G.,
Absolute heat of formation and singlet-triplet splitting for HCCN,
J. Phys. Chem. A, 2002, 106, 6, 1067-1073, https://doi.org/10.1021/jp013653q
. [all data]
Hacaloglu, Suzer, et al., 1988
Hacaloglu, J.; Suzer, S.; Oster, T.; Illenberger, E.,
Negative Ion Formation in Fluoroacetonitrile and Chloroacetonitrile following Low Energy Electron Impact,
Chem. Phys. Lett., 1988, 153, 2-3, 268, https://doi.org/10.1016/0009-2614(88)85224-2
. [all data]
Notes
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- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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