1,3-diazinide anion
- Formula: C4H3N2-
- Molecular weight: 79.0806
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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 |
|---|---|---|---|
| 1.8400 ± 0.0060 | LPES | Wren, Vogelhuber, et al., 2012 | |
| 1.14 ± 0.14 | D-EA | Meot-ner and Kafafi, 1988 | Acid: pyrimidine. Anchored to 88MEO scale, not "87 acidity scale |
Protonation reactions
C4H3N2- + =
By formula: C4H3N2- + H+ = C4H4N2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 385.2 ± 2.5 | kcal/mol | TDEq | Meot-ner and Kafafi, 1988 | gas phase; Acid: pyrimidine. Anchored to 88MEO scale, not "87 acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 376.80 ± 0.70 | kcal/mol | N/A | Wren, Vogelhuber, et al., 2012 | gas phase |
| ΔrG° | 376.9 ± 2.0 | kcal/mol | TDEq | Meot-ner and Kafafi, 1988 | gas phase; Acid: pyrimidine. Anchored to 88MEO scale, not "87 acidity scale |
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.
Wren, Vogelhuber, et al., 2012
Wren, S.W.; Vogelhuber, K.M.; Garver, J.M.; Kato, S.; Sheps, L.; Bierbaum, V.M.; Lineberger, W.C.,
C-H Bond Strengths and Acidities in Aromatic Systems: Effects of Nitrogen Incorporation in Mono-, Di-, and Triazines,
J. Am. Chem. Soc., 2012, 134, 15, 6584-6595, https://doi.org/10.1021/ja209566q
. [all data]
Meot-ner and Kafafi, 1988
Meot-ner, M.; Kafafi, S.A.,
Carbon Acidities of Aromatic Compounds,
J. Am. Chem. Soc., 1988, 110, 19, 6297, https://doi.org/10.1021/ja00227a003
. [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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