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pNMe3(+)-benzoate 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
7.55 ± 0.19D-EAStrittmatter, Wong, et al., 2000This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations.

Protonation reactions

C10H13NO2- + Hydrogen cation = C10H14NO2

By formula: C10H13NO2- + H+ = C10H14NO2

Quantity Value Units Method Reference Comment
Deltar1057. ± 13.kJ/molG+TSStrittmatter, Wong, et al., 2000gas phase; This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations.
Quantity Value Units Method Reference Comment
Deltar1028. ± 13.kJ/molCIDCStrittmatter, Wong, et al., 2000gas phase; This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations.

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.

Strittmatter, Wong, et al., 2000
Strittmatter, E.F.; Wong, R.L.; Williams, E.R., Gas-phase basicity of (CH3)(3)N+-C6H4-COO- zwitterions: A new class of organic super bases, J. Am. Chem. Soc., 2000, 122, 6, 1247-1248, https://doi.org/10.1021/ja9934495 . [all data]


Notes

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