Investigating the electronic structure of tetramethylsilane by means of X-ray spectroscopy and theoretical calculations

被引：5
作者：
Danilenko T.N. [1 ]
Tatevosyan M.M. [1 ]
Vlasenko V.G. [1 ]
机构：
[1] Research Institute of Physics, Southern Federal University, Rostov-on-Don
来源：
Bull. Russ. Acad. Sci. Phys. | / 11卷 / 1376-1379期
关键词：
Carbon atoms - Chemical interactions - Methyl group - Silicon atoms - Tetramethylsilane - Theoretical calculations - X ray fluorescence spectroscopy - X-ray fluorescence spectrum;
D O I：
10.3103/S1062873815110064
中图分类号：
学科分类号：
摘要：
The electronic structure of a tetramethylsilane molecule Si(CH3)4 is studied via X-ray fluorescence spectroscopy and simulations based on the density functional theory. An analysis of the molecular orbitals is conducted on the basis of the calculations, and a theoretical Siβ1 X-ray fluorescence spectrum is constructed that appears to be in good agreement with the experimental findings. The main types of chemical interactions between the silicon atoms and carbon atoms of methyl groups are revealed. © 2015, Allerton Press, Inc.
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页码：1376 / 1379
页数：3
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