Abstract
The electronic structure of has been studied by X-ray spectroscopy. SK β, SL 2,3- 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.
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For Communcation 1, see [1].
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 9, pp. 1188–1193, September, 1993.
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Yumatov, V.D., Erchak, N.P. & Lukevits, É. X-ray emission spectroscopy and electronic. Structure of heterocyclic compounds 2. Thiophene. Chem Heterocycl Compd 29, 1012–1016 (1993). https://doi.org/10.1007/BF00534383
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DOI: https://doi.org/10.1007/BF00534383