3-aza-5-CO2Me-benzoate anion
- Formula: C8H6NO4-
- Molecular weight: 180.1381
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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 |
|---|---|---|---|
| 4.170 ± 0.070 | LPES | Wang, Broadus, et al., 2000 | Vertical Detachment Energy: 4.38±0.06 eV |
Protonation reactions
C8H6NO4- + = C8H7NO4
By formula: C8H6NO4- + H+ = C8H7NO4
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1382. ± 21. | kJ/mol | G+TS | Broadus and Kass, 2000 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1352. ± 21. | kJ/mol | IMRB | Broadus and Kass, 2000 | gas phase |
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.
Wang, Broadus, et al., 2000
Wang, X.B.; Broadus, K.M.; Wang, L.S.; Kass, S.R.,
Photodetachment of the first zwitterionic anions in the gas phase: Probing intramolecular Coulomb repulsion and attraction,
J. Am. Chem. Soc., 2000, 122, 34, 8305-8306, https://doi.org/10.1021/ja001943z
. [all data]
Broadus and Kass, 2000
Broadus, K.M.; Kass, S.R.,
Probing Electrostatic Effects: Formation and Characterization of Zwitterionic Ions and their Neutral Counterparts in the Gas Phase,
J. Am. Chem. Soc., 2000, 122, 37, 9014, https://doi.org/10.1021/ja0016708
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- 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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