An X-ray spectral and theoretical study of the electronic structure and features of interatomic interactions in phenoxysilanes
- Авторы: Danilenko T.1, Tatevosyan M.1, Vlasenko V.1
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Учреждения:
- Research Institute of Physics
- Выпуск: Том 86, № 10 (2016)
- Страницы: 2344-2349
- Раздел: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/216372
- DOI: https://doi.org/10.1134/S1070363216100169
- ID: 216372
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Аннотация
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.
Об авторах
T. Danilenko
Research Institute of Physics
Автор, ответственный за переписку.
Email: tdanil1982@yandex.ru
Россия, pr. Stachki 194, Rostov-on-Don, 344090
M. Tatevosyan
Research Institute of Physics
Email: tdanil1982@yandex.ru
Россия, pr. Stachki 194, Rostov-on-Don, 344090
V. Vlasenko
Research Institute of Physics
Email: tdanil1982@yandex.ru
Россия, pr. Stachki 194, Rostov-on-Don, 344090
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