Study of Electronic Structure of Diethyl Diphenyl Silane by X-Ray Emission Spectroscopy and Density Functional Theory Methods
X-Ray spectral and theoretical DFT studies of the electronic structure and chemical bonds of the Si atom with the environment in (HC≡C)2SiPh2 compound were carried out. An X-ray emission Si K β1 spectrum was registered and the electronic structure of diethinyl diphenyl silane and C2H2 was calculated. The density distributions of the electronic states of valence bands for the silicon atom and carbon atoms that are part of the phenyl and ethynyl groups are constructed. The calculated data are in good agreement with the experimental data, which allows us to describe in detail the mechanism of the formation of the electronic structure of the valence band in (HC≡C)2SiPh2.