pNMe3(+)-benzoate anion
- Formula: C10H13NO2-
- Molecular weight: 179.2163
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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 ± 0.19 | D-EA | Strittmatter, Wong, et al., 2000 | This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations. |
Protonation reactions
C10H13NO2- + = C10H14NO2
By formula: C10H13NO2- + H+ = C10H14NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1057. ± 13. | kJ/mol | G+TS | Strittmatter, Wong, et al., 2000 | gas phase; This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1028. ± 13. | kJ/mol | CIDC | Strittmatter, Wong, et al., 2000 | gas phase; This acidity is ca. 24 kcal/mol stronger than that given by G3(MP2)B3 calculations. |
References
Go To: Top, Gas phase ion energetics data, Notes
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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- Symbols used in this document:
EAneutral Electron affinity of neutral species ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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