Relation between the infrared spectra of metal dithiocarbamates and their crystal structure and electronic effects of substituents

Abstract

The IR spectra of dithiocarbamic acids alkali salts and Ni(II), Cu(II), and Zn(II) chelates are studied in the region of 3 800-200 cm-1. The results are correlated with X-ray diffraction data. The position of the absorption bands of the dithiocarbamates is affected mainly by the nature of the central atom and the character of the group bonded to the nitrogen atom, influencing the charge density distribution at the C-N and M-S bonds. The structure of the coordination sphere affects the M-S and C_N bonds, which, however, manifests itself only in the IR band shape, the ν(C-N), ν(C-S), and ν(M-S) band position remaining unaltered.