Reactions of Ionized Methyl Benzoate with Methyl Isocyanide in the Gas-Phase: Nucleophilic Aromatic Substitutions vs Hydrogen Migrations

Bouchoux, Guy; De Winter, Julien; Flammang, Robert; Gerbaux, Pascal

doi:10.1021/jp906942e

Article (Scientific journals)

Reactions of Ionized Methyl Benzoate with Methyl Isocyanide in the Gas-Phase: Nucleophilic Aromatic Substitutions vs Hydrogen Migrations

Bouchoux, Guy; De Winter, Julien; Flammang, Robert et al.

2009 • In Journal of Physical Chemistry. A, 113 (41), p. 11075-11083

Peer Reviewed verified by ORBi

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https://hdl.handle.net/20.500.12907/19119

DOI
10.1021/jp906942e

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Abstract :

[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

eISSN :

1520-5215

Publisher :

American Chemical Society, Washington, United States - District of Columbia

Volume :

113

Issue :

Pages :

11075-11083

Peer reviewed :

Peer Reviewed verified by ORBi

Research unit :

S836 - Synthèse et spectrométrie de masse organiques

Commentary :

Publié en ligne le 16 septembre 2009

Available on ORBi UMONS :

since 10 July 2010

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