Abstract
The chemical state of sulfur atoms in cadmium dithiocarbamate is analyzed. The cadmium dithiocarbamate molecule and its atomic and geometrical structural analog, tetramethylthiuram disulfide, are modeled by the semiempirical PM3 and ab initio DFT methods. The results are analyzed by transforming the coefficients of the calculated wave function to new basis functions associated with the local geometry of sulfur atoms. SK β X-ray emission spectra have been constructed and analyzed. It is shown that in cadmium dithiocarbamate the sulfur atoms are in the same chemical state.
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