ClCHCN anion


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 by: John E. Bartmess

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Individual Reactions

C2HClN- + Hydrogen cation = Chloromethyl cyanide

By formula: C2HClN- + H+ = C2H2ClN

Quantity Value Units Method Reference Comment
Δr357.7 ± 2.2kcal/molG+TSPoutsma, Upshaw, et al., 2002gas phase
Δr348.2 ± 6.9kcal/molEIAEHacaloglu, Suzer, et al., 1988gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB.
Quantity Value Units Method Reference Comment
Δr350.0 ± 2.0kcal/molIMRBPoutsma, Upshaw, et al., 2002gas phase
Δr341.6 ± 7.8kcal/molH-TSHacaloglu, Suzer, et al., 1988gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB.

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- + Hydrogen cation = Chloromethyl cyanide

By formula: C2HClN- + H+ = C2H2ClN

Quantity Value Units Method Reference Comment
Δr357.7 ± 2.2kcal/molG+TSPoutsma, Upshaw, et al., 2002gas phase
Δr348.2 ± 6.9kcal/molEIAEHacaloglu, Suzer, et al., 1988gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB.
Quantity Value Units Method Reference Comment
Δr350.0 ± 2.0kcal/molIMRBPoutsma, Upshaw, et al., 2002gas phase
Δr341.6 ± 7.8kcal/molH-TSHacaloglu, Suzer, et al., 1988gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB.

References

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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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