1H-Indazole

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)900.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity868.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.35PEKovac, Klasinc, et al., 1980LLK
8.35PEKovac, Klasinc, et al., 1980Vertical value; LLK

De-protonation reactions

C7H5N2- + Hydrogen cation = 1H-Indazole

By formula: C7H5N2- + H+ = C7H6N2

Quantity Value Units Method Reference Comment
Δr1457. ± 8.8kJ/molG+TSCatalan, Claramunt, et al., 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1425. ± 8.4kJ/molIMRECatalan, Claramunt, et al., 1988gas phase; B

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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Kovac, Klasinc, et al., 1980
Kovac, B.; Klasinc, L.; Stanovnik, B.; Tisler, M., Photoelectron spectroscopy of J. Heterocycl. Chem.. Azaindenes azaindolizines (1), J. Heterocycl. Chem., 1980, 17, 689. [all data]

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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