ClCH2CO2 anion


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

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
3.930 ± 0.030LPESYu, Lina, et al., 2007Vertical Detachment Energy: 4.10±0.03 eV
3.91 ± 0.16D-EACaldwell, Renneboog, et al., 1989 

Protonation reactions

ClCH2CO2 anion + Hydrogen cation = Acetic acid, chloro-

By formula: C2H2ClO2- + H+ = C2H3ClO2

Quantity Value Units Method Reference Comment
Δr1408. ± 9.2kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Δr1407. ± 9.2kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale
Δr1407. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Δr1377. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase
Δr1376. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale
Δr1376. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase

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.

Yu, Lina, et al., 2007
Yu, W.B.; Lina, Z.J.; Ding, C.F., Electronic structures and electron detachment energies of halogen substituted acetate anions, XCH2COO- (X=F, Cl, Br), J. Chem. Phys., 2007, 126, 11, 114301, https://doi.org/10.1063/1.2646665 . [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]


Notes

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