[en] The chemistry leading to the competitive eliminations of H, CH3, and OCOCH3 from adducts of ionized methyl benzoate and neutral methyl isocyanide has been explored using density functional theory molecular orbital calculations. The energies of the various
Disciplines :
Chemistry
Author, co-author :
Bouchoux, Guy
De Winter, Julien ; Université de Mons > Faculté des Sciences > Synthèse et spectrométrie de masse organiques
Flammang, Robert
Gerbaux, Pascal ; Université de Mons > Faculté des Sciences > Synthèse et spectrométrie de masse organiques
Language :
English
Title :
Reactions of Ionized Methyl Benzoate with Methyl Isocyanide in the Gas-Phase: Nucleophilic Aromatic Substitutions vs Hydrogen Migrations
Publication date :
01 January 2009
Journal title :
Journal of Physical Chemistry. A
ISSN :
1089-5639
Publisher :
American Chemical Society, Washington, United States - District of Columbia
Volume :
113
Issue :
41
Pages :
11075-11083
Peer reviewed :
Peer Reviewed verified by ORBi
Research unit :
S836 - Synthèse et spectrométrie de masse organiques
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