The Distonic Hc+ (oh)och2 Radical Cation - a Stable Isomer of Ionized Methyl Formate
(1991) Chemical Physics Letters — Vol. 186, n° 4-5, p. 393-400 (1991)
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- Abstract
- The distonic radical cation HC+ (OH)OCH2, an isomer of ionized methyl formate HC(O)OCH3+., has been generated from fragmentation of ionized isobutyl formate and ionized 2-methylbutyl formate and characterized by collisional activation (CA) and neutralization-reionization (NR) mass spectrometries. A mixture of both methyl formate and distonic radical cations has been detected following ionization of methyl formate. MO calculations at the UHF/6-31G** level showed that the distonic species is more stable its conventional isomer and that the energy difference between both isomers is essentially due to the difference of the O-H and C-H energies.
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Citations
Flammang, R., Plisnier, M., Leroy, G., Sana, M., Nguyen, MT., & Vanquickenborne, LG. (1991). The Distonic Hc+ (oh)och2 Radical Cation - a Stable Isomer of Ionized Methyl Formate. Chemical Physics Letters, 186(4-5), 393-400. https://doi.org/10.1016/0009-2614(91)90197-H (Original work published 1991)