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3,5-Dimethylpyrazole

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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
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
Proton affinity (review)933.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity900.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.75 ± 0.03PELichtenberger, Copenhaver, et al., 1988LL

De-protonation reactions

C5H7N2- + Hydrogen cation = 3,5-Dimethylpyrazole

By formula: C5H7N2- + H+ = C5H8N2

Quantity Value Units Method Reference Comment
Deltar1480. ± 8.8kJ/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1450. ± 8.4kJ/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale; B

References

Go To: Top, 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.

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]

Lichtenberger, Copenhaver, et al., 1988
Lichtenberger, D.L.; Copenhaver, A.S.; Gray, H.B.; Marshall, J.L.; Hopkins, M.D., Valence electronic structure of bis(Pyrazolyl)-bridged iridium dicarbonyl dimers. Electronic effects of 3,5-dimethylpyraxzolyl substitution on metal-metal interactions, Inorg. Chem., 1988, 27, 4488. [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]


Notes

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