3-aza(+)-Me-5-CO2(-)-phenide
- Formula: C7H6NO2
- Molecular weight: 136.1280
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Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C7H6NO2 + =
By formula: C7H6NO2 + H+ = C7H7NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 360.1 ± 5.0 | kcal/mol | D-EA | Wang, Broadus, et al., 2000 | gas phase; ArCO2-: EAad = 3.8±0.1 eV |
| ΔrH° | 346.0 ± 5.1 | kcal/mol | G+TS | Broadus and Kass, 2000 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 352.4 ± 5.1 | kcal/mol | H-TS | Wang, Broadus, et al., 2000 | gas phase; ArCO2-: EAad = 3.8±0.1 eV |
| ΔrG° | 338.2 ± 5.0 | kcal/mol | IMRB | Broadus and Kass, 2000 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
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
View reactions leading to C7H6NO2+ (ion structure unspecified)
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.905 ± 0.020 | LPES | Wang, Broadus, et al., 2000 | ArCO2-: EAad = 3.8±0.1 eV |
Protonation reactions
C7H6NO2 + =
By formula: C7H6NO2 + H+ = C7H7NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 360.1 ± 5.0 | kcal/mol | D-EA | Wang, Broadus, et al., 2000 | gas phase; ArCO2-: EAad = 3.8±0.1 eV |
| ΔrH° | 346.0 ± 5.1 | kcal/mol | G+TS | Broadus and Kass, 2000 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 352.4 ± 5.1 | kcal/mol | H-TS | Wang, Broadus, et al., 2000 | gas phase; ArCO2-: EAad = 3.8±0.1 eV |
| ΔrG° | 338.2 ± 5.0 | kcal/mol | IMRB | Broadus and Kass, 2000 | gas phase |
References
Go To: Top, Reaction thermochemistry data, 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, Reaction thermochemistry data, 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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