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Trigonelline


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

View reactions leading to C7H7NO2+ (ion structure unspecified)

De-protonation reactions

C7H6NO2 + Hydrogen cation = Trigonelline

By formula: C7H6NO2 + H+ = C7H7NO2

Quantity Value Units Method Reference Comment
Deltar1507. ± 21.kJ/molD-EAWang, Broadus, et al., 2000gas phase; ArCO2-: EAad = 3.8±0.1 eV
Deltar1448. ± 21.kJ/molG+TSBroadus and Kass, 2000gas phase
Quantity Value Units Method Reference Comment
Deltar1474. ± 21.kJ/molH-TSWang, Broadus, et al., 2000gas phase; ArCO2-: EAad = 3.8±0.1 eV
Deltar1415. ± 21.kJ/molIMRBBroadus and Kass, 2000gas phase

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.

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

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