[ZnX4]2− [R]2+ Hybrid Materials: Structural and Optical Studies

Abstract

The function of non-covalent interactions in structure–property relationship of [ZnX4]2−-based inorganic–organic hybrid materials has been studied in a series of compounds which were examined and determined with XRD data. The XRD data have been used for computer-generated structural model through computational systems to compute the non-covalent bonds in order in ZnCl4, ZnBr4, ZnI4, and ZnF4 hybrids. The molecular structures have revealed that organic materials are held inside the inorganic components through non-covalent interactions by hydrogen donor-to-acceptor, hydrogen donor to ring centroid, within the halide groups and also within the metal–metal atoms of the compound to form the different structural motifs. The selected materials were analyzed for the predominance of the hyper-Raman and Infrared spectra modes of [ZnCl4]2− hybrids in comparison with the [ZnBr4]2−, [ZnI4]2−[ZnF4]2−, etc. types of hybrid derivatives are calculated through the fractional coordinates obtained from the structural data. These spectroscopic parameters indicate that such hybrid materials have optical properties.