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
Δr1480. ± 8.8kJ/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr1450. ± 8.4kJ/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale; B

IR Spectrum

Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, References, Notes

Data compiled by: Coblentz Society, Inc.


UV/Visible spectrum

Go To: Top, Gas phase ion energetics data, IR Spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Bernarducci, et al., 1981
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 18512
Instrument Cary 17

References

Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, 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]

Bernarducci, et al., 1981
Bernarducci, E., et al., J. Am. Chem. Soc., 1981, 103, 1686. [all data]


Notes

Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, References