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Metastable anions of dinitrobenzene : Resonances for electron attachment and kinetic energy release
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- Mauracher, Andreas (author)
- Uppsala universitet,Strukturkemi
- Denifl, S. (author)
- Edtbauer, A. (author)
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- Hager, M. (author)
- Probst, M. (author)
- Echt, O. (author)
- Märk, T.D. (author)
- Scheier, P. (author)
- Field, T.A. (author)
- Graupner, K. (author)
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- (creator_code:org_t)
- AIP Publishing, 2010
- 2010
- English.
- In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 133:24, s. 244302-
- Journal article (peer-reviewed)
Abstract
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- 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
Subject headings
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
Keyword
- Inorganic chemistry
- Oorganisk kemi
- Kemi med inriktning mot oorganisk kemi
- Chemistry with specialization in Inorganic Chemistry
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- ref (subject category)
- art (subject category)
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- Märk, T.D.
- Scheier, P.
- Field, T.A.
- Graupner, K.
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