Title: Collisionally induced loss of NO2 radical from protonated nitroimidazoles and nitropyrazoles
Authors: Flammang, R ×
Elguero, J
Le, HT
Gerbaux, P
Nguyen, Minh Tho #
Issue Date: 2002
Series Title: Chemical Physics Letters vol:356 issue:3-4 pages:259-266
Conference: date:Univ Mons, Dept Organ Chem, Organ Chem Lab, B-7000 Mons, Belgium; CSIC, Inst Quim Med, E-28006 Madrid, Spain; Univ Louvain, Dept Chem, B-3001 Heverlee, Belgium
Abstract: The collisionally induced loss of NO2 of protonated nitroimidazoles and nitropyrazoles was investigated for the possible generation of hydrogen shift isomers of imidazole and pyrazole radical cations. Ab initio calculations at B3LYP/6-31+G(d,p) level have been used to rationalize the experimental findings. (C) 2002 Published by Elsevier Science B.V.
ISSN: 0009-2614
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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