benzotriazolide anion


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

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Individual Reactions

C6H4N3- + Hydrogen cation = 1H-Benzotriazole

By formula: C6H4N3- + H+ = C6H5N3

Quantity Value Units Method Reference Comment
Δr1415. ± 8.8kJ/molG+TSCatalan, Claramunt, et al., 1988gas phase; Revised: 91TAF
Quantity Value Units Method Reference Comment
Δr1384. ± 8.4kJ/molIMRECatalan, Claramunt, et al., 1988gas phase; Revised: 91TAF

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

Protonation reactions

C6H4N3- + Hydrogen cation = 1H-Benzotriazole

By formula: C6H4N3- + H+ = C6H5N3

Quantity Value Units Method Reference Comment
Δr1415. ± 8.8kJ/molG+TSCatalan, Claramunt, et al., 1988gas phase; Revised: 91TAF
Quantity Value Units Method Reference Comment
Δr1384. ± 8.4kJ/molIMRECatalan, Claramunt, et al., 1988gas phase; Revised: 91TAF

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.

Catalan, Claramunt, et al., 1988
Catalan, J.; Claramunt, R.M.; Elguero, J.; Menedez, M.; Anvia, F.; Quian, J.H.; Taagepera, M.; Taft, R.W., Basicity and Acidity of Azoles. The Annelation Effect in Azoles., J. Am. Chem. Soc., 1988, 110, 13, 4107, https://doi.org/10.1021/ja00221a001 . [all data]


Notes

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