Premium
Metastable Dissociation of Anions Formed by Electron Attachment
Author(s) -
Zappa Fabio,
Beikircher Manuel,
Mauracher Andreas,
Denifl Stephan,
Probst Michael,
Injan Natcha,
Limtrakul Jumras,
Bacher Arntraud,
Echt Olof,
Märk Tilmann D.,
Scheier Paul,
Field Thomas A.,
Graupner Karola
Publication year - 2008
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200700720
Subject(s) - metastability , exothermic reaction , dissociation (chemistry) , electron , chemical physics , chemistry , kinetic energy , solvated electron , exothermic process , ion , photochemistry , atomic physics , computational chemistry , radiolysis , adsorption , organic chemistry , physics , aqueous solution , quantum mechanics
A comprehensive analysis of metastable dissociation of 2,4‐dinitrotoluene (DNT) parent anions formed by attachment of electrons of controlled energy is presented. We characterize the energy dependence and kinetic energy release of the reaction which competes with autodetachment. A surprising finding is a highly exothermic metastable reaction triggered by the attachment of thermal electrons which we relate to the well‐known electrostatic ignition hazards of DNT and other explosives. Quantum chemical calculations are performed for dinitrobenzene in order to elucidate the process of NO abstraction.