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

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.