X-ray emission spectroscopy and theoretical study of the electronic structure of hexamethyldisiloxane and octamethylcyclotetrasiloxane |
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| Authors: | T N Danilenko M M Tatevosyan V G Vlasenko |
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| Affiliation: | 1.Research Institute of Physics,Southern Federal University,Rostov-on-Don,Russia |
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| Abstract: | Electronic structure of hexamethyldisiloxane and octamethylcyclotetrasiloxane has been studied by means of X-ray emission spectroscopy and quantum-chemical simulation at the density functional theory level. From the analysis of the fine structure of X-ray emission SiKβ1-spectra and simulated densities of electronic states, the special features of chemical interactions of Si, O, and C atoms in these molecules are determined. |
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