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  • Mauracher, Andreas, et al. (author)
  • Metastable anions of dinitrobenzene : Resonances for electron attachment and kinetic energy release
  • 2010
  • In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 133:24, s. 244302-
  • Journal article (peer-reviewed)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
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Probst, M. (1)
Denifl, S (1)
Mauracher, Andreas (1)
Echt, O (1)
Scheier, P (1)
Edtbauer, A. (1)
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Hager, M. (1)
Märk, T.D. (1)
Field, T.A. (1)
Graupner, K. (1)
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University
Uppsala University (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year
2010 (1)

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