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2,4,6-Trimethylbenzonitrile, N-oxide

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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 compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.37PEBened, Durand, et al., 1982Vertical value; LBLHLM
8.34PEHouk, Caramella, et al., 1977Vertical value; LLK
8.35 ± 0.02PEBastide, Maier, et al., 1976Vertical value; LLK

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.

Bened, Durand, et al., 1982
Bened, A.; Durand, R.; Pioch, D.; Geneste, P.; Declercq, J.-P.; Germain, G.; Rambaud, J.; Roques, R.; Guimon, C.; Pfister-Guillouzo, G., Isoxazolines by cycloadditions of mesitonitrile oxide with benzo[b]thiophene S-oxide and S,S-dioxide. Structural studies, theoretical explanations, and kinetics, J. Org. Chem., 1982, 47, 2461. [all data]

Houk, Caramella, et al., 1977
Houk, K.N.; Caramella, P.; Munchausen, L.L.; Chang, Y.-M.; Battaglia, A.; Sims, J.; Kaufman, D.C., Photoelectron spectra of nitrones and nitrile oxides, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 441. [all data]

Bastide, Maier, et al., 1976
Bastide, J.; Maier, J.P.; Kubota, T., Ionisation energies and electronic structures of the phenyl 1,3-dipoles, J. Electron Spectrosc. Relat. Phenom., 1976, 9, 307. [all data]


Notes

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