The Hirshfeld Surface Analysis of Antimony(III) and Bismuth(III) Complexes with Dithiocarbamate Ligands

Abstract

The Hirshfeld surface analysis represents one of the most effective ways to determine intermolecular interactions in a crystal. Using the Hirshfeld surface analysis, both the types and quantities of these interactions can be determined. In this study, intermolecular interactions of [1] (1), {[SbBr(Me2DTC)2]n} (2), {[SbI(Me2DTC)2]n} (3), {[SbI(Et2DTC)2]2} (4), {[BiCl(Me2DTC)2]n}(5), {[BiBr(Me2DTC)2]n} (6), {[BiBr2(Et2DTC)]n} (7), {[BiI2(Me2DTC)n]} (8) and {[BiI(Et2DTC)2]n} (9) (Me2DTC: Dimethyldithiocarbamate, Et2DTC: Diethyldithiocarbamate), previously synthesized and characterized by different spectroscopic methods and X-ray diffraction in literature, were determined by using the Hirshfeld surface analysis. The Hirshfeld surface analysis was carried out via Crystal Explorer 21.5. The results of the Hirshfeld surface analysis show that the highest contributions to the crystal packing of the complexes 1-9 are H…H, S…H/H…S and X…H/H…X (X: Cl, Br and I). The contribution of X…S/S…X and M…X/X…M (M: Sb and Bi) interactions is higher in bismuth (III) complexes as compared to antimony (III) complexes.