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X-ray emission spectroscopy and electronic. Structure of heterocyclic compounds 2. Thiophene
Authors:V. D. Yumatov  N. P. Erchak  É. Lukevits
Affiliation:(1) Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Science, 630090 Novosibirsk;(2) Latvian Institute of Organic Chemistry, LV-1006 Riga
Abstract:
The electronic structure of has been studied by X-ray spectroscopy. SKbeta, SL2,3- and CK±-spectra were obtained. Theoretical spectra were constructed on the basis of ab initio and MNDO calculations and the experimental results were interpreted. The HOMO is an orbital in which the electron density is localized on the carbon atoms. Conclusions about the occupancy of the lowest 3d orbital were reached from the experimental results.For Communcation 1, see [1].Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 9, pp. 1188–1193, September, 1993.
Keywords:
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