X-Ray Spectral and Theoretical Study of Electronic Structure and Features of Interatomic Interactions in Phenylaminosilanes HnSi(NHC6H5)4–n (n = 3–0)
- Autores: Danilenko T.1, Tatevosyan M.1, Vlasenko V.1
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Afiliações:
- Research Institute of Physics
- Edição: Volume 88, Nº 8 (2018)
- Páginas: 1557-1561
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222347
- DOI: https://doi.org/10.1134/S1070363218080017
- ID: 222347
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Resumo
Electronic structure and features of interatomic interactions in a series of phenylaminosilanes HnSi(NHC6H5)4–n (n = 3–0) have been studied by means of computer-based simulation (electron density functional method) in comparison with experimental (X-ray and photoelectron spectroscopy). Distributions of density of electronic states of the valence band, correlation diagrams of the energy levels, and visualizations of the isosurfaces of molecular orbitals have been obtained. Major types of interatomic electronic interactions providing the Si–NH–C6H5 bonds in tetraphenylaminosilane have been elucidated.
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