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Metastable anions of dinitrobenzene: Resonances for electron attachment and kinetic energy release
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
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2010 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 133, no 24, 244302- p.Article in journal (Refereed) Published
Abstract [en]

Attachment of free, low-energy electrons to dinitrobenzene (DNB) in the gas phase leads to DNB as well as several fragment anions. DNB, (DNB-H), (DNB-NO), (DNB-2NO), and (DNB-NO2) are found to undergo metastable (unimolecular) dissociation. A rich pattern of resonances in the yield of these metastable reactions versus electron energy is observed; some resonances are highly isomer-specific. Most metastable reactions are accompanied by large average kinetic energy releases (KER) that range from 0.5 to 1.32 eV, typical of complex rearrangement reactions, but (1,3-DNB-H) features a resonance with a KER of only 0.06 eV for loss of NO. (1,3-DNB-NO) offers a rare example of a sequential metastable reaction, namely, loss of NO followed by loss of CO to yield C5H4O with a large KER of 1.32 eV. The G4(MP2) method is applied to compute adiabatic electron affinities and reaction energies for several of the observed metastable channels

Place, publisher, year, edition, pages
2010. Vol. 133, no 24, 244302- p.
National Category
Inorganic Chemistry
Research subject
Chemistry with specialization in Inorganic Chemistry
URN: urn:nbn:se:uu:diva-148031DOI: 10.1063/1.3514931ISI: 000285769200023PubMedID: 21197988OAI: oai:DiVA.org:uu-148031DiVA: diva2:401161
Available from: 2011-03-01 Created: 2011-03-01 Last updated: 2011-03-22Bibliographically approved

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Mauracher, Andreas
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