An X-ray spectral and theoretical study of the electronic structure and features of interatomic interactions in phenoxysilanes

被引：0
作者：
T. N. Danilenko
M. M. Tatevosyan
V. G. Vlasenko
机构：
[1] Southern Federal University,Research Institute of Physics
来源：
Russian Journal of General Chemistry | 2016年 / 86卷
关键词：
electronic structure; phenoxysilanes; density functional theory; X-ray emission spectroscopy; photoelectron spectroscopy;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
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.
引用
收藏
页码：2344 / 2349
页数：5
相关论文
共 29 条
[1]  
Danilenko T.N.(2012)undefined J. Struct. Chem. 53 876-undefined
[2]  
Tatevosyan M.M.(2012)undefined Phys. Solid State 54 1971-undefined
[3]  
Vlasenko V.G.(2013)undefined Phys. Solid State 55 2582-undefined
[4]  
Danilenko T.N.(1976)undefined J. Am. Chem. Soc. 98 668-undefined
[5]  
Tatevosyan M.M.(1973)undefined J. Chem. Soc. Faraday Trans. 2 69 521-undefined
[6]  
Vlasenko V.G.(1988)undefined Phys. Rev. B 37 785-undefined
[7]  
Danilenko T.N.(1993)undefined J. Chem. Phys. 98 5648-undefined
[8]  
Vlasenko V.G.(1980)undefined J. Chem. Phys. 72 5639-undefined
[9]  
Tatevosyan M.M.(1980)undefined J. Chem. Phys. 72 650-undefined
[10]  
Bock H.(1989)undefined Angew. Chem., Int. Ed. 28 623-undefined
123