Metastable anions of dinitrobenzene: resonances for electron attachment and kinetic energy release

A. Mauracher, S. Denifl, A. Edtbauer, M. Hager, M. Probst, O. Echt, T. D. Märk, P. Scheier, T. A. Field, K. Graupner

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14 Citations (Scopus)
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Abstract

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.

Original languageEnglish
Article number244302
Number of pages9
JournalJournal of Chemical Physics
Volume133
Issue number24
Early online date22 Dec 2010
DOIs
Publication statusPublished - 28 Dec 2010

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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