Metastable Dissociation of Anions Formed by Electron Attachment

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...

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Bibliographic Details
Published in:Chemphyschem 2008-03, Vol.9 (4), p.607-611
Main Authors: 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
Format: Article
Language:English
Subjects:
anions
Anions - chemistry
Chemistry
Dinitrobenzenes - chemistry
Electrons
energy release
Exact sciences and technology
explosives
General and physical chemistry
Kinetics
Kinetics and mechanisms
metastable compounds
Nitric Oxide - chemistry
Organic chemistry
Quantum Theory
reaction mechanisms
Reactivity and mechanisms
Static Electricity
Theory of reactions, general kinetics
Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
Time Factors
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Summary: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 ion. Unimolecular dissociation of parent anions is rarely observed because the reaction is often overwhelmed by autodetachment. We provide a comprehensive experimental and theoretical analysis (see figure), including the kinetic energy release and the effect of the anion excess energy, for 2,4‐dinitrotoluene (DNT).
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.200700720