Structure and Properties of Thiocarbamide Complexes of Cadmium and Zinc According to the Results of a Quantum-Chemical Calculation

摘要

Quantum-chemical simulation of the structure and some properties of thiocarbamide complexes of cadmium was performed. The energy effects of dissociation in a vacuum and aqueous solutions were evaluated and the charge distribution, vibration frequencies of cadmium and zinc complexes, and a number of their electronic characteristics were calculated.