MeOCH2CO2 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
3.67 ± 0.16D-EACaldwell, Renneboog, et al., 1989 

Protonation reactions

MeOCH2CO2 anion + Hydrogen cation = Acetic acid, methoxy-

By formula: C3H5O3- + H+ = C3H6O3

Quantity Value Units Method Reference Comment
Δr341.9 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Δr342.6 ± 2.1kcal/molG+TSTaft and Topsom, 1987gas phase
Quantity Value Units Method Reference Comment
Δr335.3 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Δr336.0 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase

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

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Clustering reactions

MeOCH2CO2 anion + Water = (MeOCH2CO2 anion • Water)

By formula: C3H5O3- + H2O = (C3H5O3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr8.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(MeOCH2CO2 anion • Water) + Water = (MeOCH2CO2 anion • 2Water)

By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(MeOCH2CO2 anion • 2Water) + Water = (MeOCH2CO2 anion • 3Water)

By formula: (C3H5O3- • 2H2O) + H2O = (C3H5O3- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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.

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]

Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D., The Nature and Analysis of Substituent Effects, Prog. Phys. Org. Chem., 1987, 16, 1. [all data]

Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [all data]


Notes

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