A Study of Electronic Structure of Diethyldiphenylsilane by X-Ray Emission Spectroscopy and Density Functional Theory Methods
- 作者: Danilenko T.1, Tatevosyan M.1, Vlasenko V.1
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隶属关系:
- Research Institute of Physics
- 期: 卷 89, 编号 11 (2019)
- 页面: 2224-2228
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/223156
- DOI: https://doi.org/10.1134/S1070363219110100
- ID: 223156
如何引用文章
详细
X-Ray spectroscopy and DFT study of the electronic structure and chemical bonds of the silicon atom and its surrounding in the molecule of (HC=C)2SiPh2 has been performed. The X-ray emission Si Kβ1 spectrum has been registered and the electronic structure of diethynyldiphenylsilane and C2H2 has been simulated. The valence bands electronic states density distribution for the silicon atom and the carbon atoms of the phenyl and ethynyl groups has been obtained. The theoretical results are in good agreement with the experimental ones, allowing detailed description of the mechanism of the electronic structure formation of the valence bond in (HC≡C)2SiPh2.
作者简介
T. Danilenko
Research Institute of Physics
编辑信件的主要联系方式.
Email: tdanil1982@yandex.ru
俄罗斯联邦, Rostov-on-Don, 344090
M. Tatevosyan
Research Institute of Physics
Email: tdanil1982@yandex.ru
俄罗斯联邦, Rostov-on-Don, 344090
V. Vlasenko
Research Institute of Physics
Email: tdanil1982@yandex.ru
俄罗斯联邦, Rostov-on-Don, 344090