Combined experimental and computational investigation of the double ionization of (CH3)4M molecules (M = Si, Ge, Sn and Pb)

Phillips, C. ; Vairamani, M. ; Harris, F. M. ; Morley, C. P. ; Andrews, S. R. ; Parry, D. E. (1995) Combined experimental and computational investigation of the double ionization of (CH3)4M molecules (M = Si, Ge, Sn and Pb) Journal of the Chemical Society, Faraday Transactions, 91 . pp. 1901-1906. ISSN 0956-5000

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Official URL: http://pubs.rsc.org/en/Content/ArticleLanding/1995...

Related URL: http://dx.doi.org/10.1039/FT9959101901

Abstract

The double-ionization energies of four (CH3)4M molecules (M = Si, Ge, Sn and Pb) to triplet electronic states of their dications have been calculated using a modified MSXα method. The results are used to interpret the peak positions in experimental spectra obtained by the application of double-charge-transfer spectroscopy to the molecules. Although the density of states is high, the main features of the spectra correlate well with the calculated average double-ionization energies to selected groups of states.

Item Type:Article
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ID Code:93851
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