Abstract
The electronic structure and features of interatomic interactions providing the Si–O–C6H5 bonds in H4-n Si(OC6H5) n (n = 1–4) were studied by a combined analysis of the X-ray emission and photoelectron spectroscopic data and the results of quantum-chemical calculations. Theoretical calculations were carried out using the density functional theory. The distributions of the density of states were constructed, the correlation energy diagrams were presented, and the main types of interatomic interactions in phenoxysilanes were revealed.
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Original Russian Text © T.N. Danilenko, M.M. Tatevosyan, V.G. Vlasenko, 2016, published in Zhurnal Obshchei Khimii, 2016, Vol. 86, No. 10, pp. 1697–1702.
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Danilenko, T.N., Tatevosyan, M.M. & Vlasenko, V.G. An X-ray spectral and theoretical study of the electronic structure and features of interatomic interactions in phenoxysilanes. Russ J Gen Chem 86, 2344–2349 (2016). https://doi.org/10.1134/S1070363216100169
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DOI: https://doi.org/10.1134/S1070363216100169