(H2O)2..MeCO2 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
Δfgas-264.9 ± 3.3kcal/molTherMeot-ner, Elmore, et al., 1999 
Δfgas-265.8 ± 3.5kcal/molTherBlades, Klassen, et al., 1995T: 293 K. ΔSaff approx. 24 cal/mol-K

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
4.550 ± 0.050LPESWang, Jagoda-Cwiklik, et al., 2009 

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.

Meot-ner, Elmore, et al., 1999
Meot-ner, M.; Elmore, D.E.; Scheiner, S., Ionic Hydrogen Bond Effects on the Acidities, Basicities, Solvation, Solvent Bridging and Self-assembly of Carboxylic Groups, J. Am. Chem. Soc., 1999, 121, 33, 7625, https://doi.org/10.1021/ja982173i . [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]

Wang, Jagoda-Cwiklik, et al., 2009
Wang, X.B.; Jagoda-Cwiklik, B.; Chi, C.X.; Xing, X.P.; Zhou, M.F.; Jungwirth, P.; Wang, L.S., Microsolvation of the acetate anion [CH3CO2-(H2O)(n), n=1-3]: A photoelectron spectroscopy and ab initio computational study, Chem. Phys. Lett., 2009, 477, 1-3, 41-44, https://doi.org/10.1016/j.cplett.2009.06.074 . [all data]


Notes

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