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Title: Characterization of a distonic isomer C6H5C+(OH)OCH2 degrees of methyl benzoate radical cation by associative ion-molecule reactions
Authors: Dechamps, N ×
Flammang, R
Gerbaux, P
Nam, PC
Nguyen, Minh Tho #
Issue Date: Mar-2006
Publisher: Elsevier
Series Title: International Journal of Mass Spectrometry vol:249 pages:484-492
Conference: date:Univ Mons, Organ Chem Lab, B-7000 Mons, Belgium; Univ Louvain, Dept Chem, B-3001 Louvain, Belgium
Abstract: The C6H5C+(OH)OCH2 degrees radical cation, formally a distonic isomer of ionized methyl benzoate, has been prepared by dissociative ionization of neopentyl benzoate, as earlier suggested by Audier et al. [H.E. Audier, A. Milliet, G. Sozzi, S. Hammerum, Org. Mass. Spectrom. 25 (1990) 44]. Its distonic character has now been firmly established by its high reactivity towards neutral methyl isocyanide (ionized methylene transfer) producing N-methyl ketenimine ions. Other mass spectrometric experiments and ab initio quantum chemical calculations also concur with each other pointing toward the existence of a stable distonic radical cation. (c) 2005 Elsevier B.V. All rights reserved.
ISSN: 1387-3806
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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