An X-ray spectral and theoretical study of the electronic structure and features of interatomic interactions in phenoxysilanes
- Autores: Danilenko T.1, Tatevosyan M.1, Vlasenko V.1
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Afiliações:
- Research Institute of Physics
- Edição: Volume 86, Nº 10 (2016)
- Páginas: 2344-2349
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/216372
- DOI: https://doi.org/10.1134/S1070363216100169
- ID: 216372
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Resumo
The electronic structure and features of interatomic interactions providing the Si–O–C6H5 bonds in H4-nSi(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.
Sobre autores
T. Danilenko
Research Institute of Physics
Autor responsável pela correspondência
Email: tdanil1982@yandex.ru
Rússia, pr. Stachki 194, Rostov-on-Don, 344090
M. Tatevosyan
Research Institute of Physics
Email: tdanil1982@yandex.ru
Rússia, pr. Stachki 194, Rostov-on-Don, 344090
V. Vlasenko
Research Institute of Physics
Email: tdanil1982@yandex.ru
Rússia, pr. Stachki 194, Rostov-on-Don, 344090
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