2(1H)-Pyridinone, 1-methyl-

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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

View reactions leading to C6H7NO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)925.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity894.8kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.41PEDreier, Becher, et al., 1981LLK
8.2PECook, El-Abbady, et al., 1977LLK
8.58 ± 0.02EIGronneberg and Undheim, 1972LLK
8.41 ± 0.03PECook, El-Abbady, et al., 1977Vertical value; LLK

De-protonation reactions

C6H6NO- + Hydrogen cation = 2(1H)-Pyridinone, 1-methyl-

By formula: C6H6NO- + H+ = C6H7NO

Quantity Value Units Method Reference Comment
Δr1581. ± 12.kJ/molG+TSGronert, Feng, et al., 2000gas phase; B
Quantity Value Units Method Reference Comment
Δr1548. ± 11.kJ/molIMRBGronert, Feng, et al., 2000gas 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]

Dreier, Becher, et al., 1981
Dreier, C.; Becher, J.; Frandsen, E.G.; Henriksen, L., Pyridinethiones - V. Spectroscopic investigation and electronic structure of 3-formyl-2(1H)-pyridones,-thiones and -selones, Tetrahedron, 1981, 37, 2663. [all data]

Cook, El-Abbady, et al., 1977
Cook, M.J.; El-Abbady, S.; Katritzky, A.R.; Guimon, C.; Pfister-Guillouzo, G., Photoelectron spectra of hydroxy- and mercapto-pyridines and models of fixed structure, J. Chem. Soc. Perkin Trans. 2, 1977, 1652. [all data]

Gronneberg and Undheim, 1972
Gronneberg, T.; Undheim, K., Mass spectrometry of onium compounds. XI: ionization potentials of hydroxy and mercapto pyridines, Org. Mass Spectrom., 1972, 6, 823. [all data]

Gronert, Feng, et al., 2000
Gronert, S.; Feng, W.Y.; Chew, F.; Wu, W.M., The gas phase acid/base properties of 1,3,-dimethyluracil, 1-methyl-2-pyridone, and 1-methyl-4-pyridone: relevance to the mechanism of orotidine-5 '-monophosphate decarboxylase, Int. J. Mass Spectrom., 2000, 196, 251-258, https://doi.org/10.1016/S1387-3806(99)00191-8 . [all data]


Notes

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