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Temperature dependence of the mean autodetachment lifetime of the p ‐benzoquinone molecular radical anion
Author(s) -
Pshenichnyuk S. A.,
Lomakin G. S.,
Fokin A. I.,
Pshenichnyuk I. A.,
Asfandiarov N. L.
Publication year - 2005
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.2274
Subject(s) - chemistry , ion , benzoquinone , computational chemistry , faraday cage , quantum chemical , molecule , quantum mechanics , organic chemistry , physics , magnetic field
Experimental data previously published from this laboratory (Asfandiarov NL, Pshenichnyuk SA, Fokin AI, Nafikova EP. Chem. Phys . 2004; 298: 263), on the temperature dependence of the mean autodetachment lifetime of the p ‐benzoquinone molecular radical anion, were analyzed in the framework of a simple statistical model. This model is a simplification of the well‐known semiempirical approach elaborated by Christophorou et al. (Christophorou LG, Hadjiantoniou A, Carter JG. J. Chem. Soc., Faraday Trans. II 1973; 69: 1722). Evaluation of the vibrational energy storage of the target molecule and anion was made in a quantum approximation following a published procedure (Matejčik Š, Märk TD, Španěl P, Smith D, Jaffke T, Illenberger E. J. Chem. Phys . 1994; 102: 2516). The results obtained are in reasonable agreement with the experimental data. Copyright © 2005 John Wiley & Sons, Ltd.
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