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pyrazolide anion


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
2.9380 ± 0.0050LPESGianola, Ichino, et al., 2006 

Protonation reactions

C3H3N2- + Hydrogen cation = 1H-Pyrazole

By formula: C3H3N2- + H+ = C3H4N2

Quantity Value Units Method Reference Comment
Deltar353.6 ± 2.4kcal/molG+TSGianola, Ichino, et al., 2006gas phase
Deltar353.6 ± 2.4kcal/molG+TSTaft, Anvia, et al., 1986gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar346.4 ± 2.3kcal/molN/AGianola, Ichino, et al., 2006gas phase
Deltar346.4 ± 2.3kcal/molIMRETaft, Anvia, et al., 1986gas phase; value altered from reference due to change in acidity scale

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.

Gianola, Ichino, et al., 2006
Gianola, A.J.; Ichino, T.; Kato, S.; Bierbaum, V.M.; Lineberger, W.C., Thermochemical studies of pyrazolide, J. Phys. Chem. A, 2006, 110, 27, 8457-8466, https://doi.org/10.1021/jp057499+ . [all data]

Taft, Anvia, et al., 1986
Taft, R.W.; Anvia, F.; Taagepera, M.; Catalan, J.; Elgueroy, J., Electrostatic proximity effects in the relative basicities of pyrazole, imidazole, pyridazine, and pyrimidine, J. Am. Chem. Soc., 1986, 108, 3237. [all data]


Notes

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