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1H-Pyrazole

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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 as indicated in comments:
B - J.E. Bartmess
RCD - R.C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C3H3N2- + Hydrogen cation = 1H-Pyrazole

By formula: C3H3N2- + H+ = C3H4N2

Quantity Value Units Method Reference Comment
Deltar1479. ± 10.kJ/molG+TSGianola, Ichino, et al., 2006gas phase; B
Deltar1479. ± 10.kJ/molG+TSTaft, Anvia, et al., 1986gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1449. ± 9.6kJ/molN/AGianola, Ichino, et al., 2006gas phase; B
Deltar1449. ± 9.6kJ/molIMRETaft, Anvia, et al., 1986gas phase; value altered from reference due to change in acidity scale; B

Lithium ion (1+) + 1H-Pyrazole = (Lithium ion (1+) bullet 1H-Pyrazole)

By formula: Li+ + C3H4N2 = (Li+ bullet C3H4N2)

Quantity Value Units Method Reference Comment
Deltar187. ± 17.kJ/molCIDTHuang and Rodgers, 2002RCD

Sodium ion (1+) + 1H-Pyrazole = (Sodium ion (1+) bullet 1H-Pyrazole)

By formula: Na+ + C3H4N2 = (Na+ bullet C3H4N2)

Quantity Value Units Method Reference Comment
Deltar128. ± 9.2kJ/molCIDTHuang and Rodgers, 2002RCD

Potassium ion (1+) + 1H-Pyrazole = (Potassium ion (1+) bullet 1H-Pyrazole)

By formula: K+ + C3H4N2 = (K+ bullet C3H4N2)

Quantity Value Units Method Reference Comment
Deltar84. ± 3.kJ/molCIDTHuang and Rodgers, 2002RCD

References

Go To: Top, Reaction thermochemistry data, Notes

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]

Huang and Rodgers, 2002
Huang, H.; Rodgers, M.T., Sigma versus Pi interactions in alkali metal ion binding to azoles: Threshold collision-induced dissociation and ab initio theory studies, J. Phys. Chem. A, 2002, 106, 16, 4277, https://doi.org/10.1021/jp013630b . [all data]


Notes

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