The electronic structure and ligand environment of sulfur was investigated in various sulfur-containing compounds with
different structures and chemical states by using X-ray emission spectroscopy (XES). Calculations were performed
using density functional theory (DFT) as implemented in the StoBe code. The sulfur chemical state and atomic
environment is discussed in terms of the molecular orbitals and partial charges that are obtained from the calculations.
The main spectral features can be modeled using our calculational approach. The sensitivity of the Kβ emission to the cation and the local symmetry is discussed
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