New Hybrid Compounds Based on Polymeric Chlorocadmate Anions. Crystal Structures, Physico-Chemical Properties and Theoretical Calculations

      Аннотация: In recent years, the synthesis and characterization of coordination polymers have been of great interest. This is owing to their fascinating structures and potential applications in catalysis, conductivity, porosity, chirality, luminescence, magnetism, spin-transition and non-linear optics. The size of the organic cations, their symmetry and their ability to form hydrogen bonds determine the physico-chemical properties in these materials. The structural chemistry of cadmium chloride in the solid state forms various structures mainly with an anionic sub-lattice built up of the CdCl6 which can be linked in one of three ways: face, edge or corner sharing forming naturally-isolated molecules (0D), infinite chains (1D), two (2D) or three (3D) dimensional networks. In the present work we report on the synthesis of some polymeric complexes, characterized by X-ray diffraction, IR, Raman and UV-vis spectroscopies. In light of DFT calculations, complete vibrational analyses are made. On the basis of Hirshfeld surfaces computational method and the associated fingerprint plots, the nature of short contacts and their relative contributions to building the solid-state architecture were reported.

Ключевые слова: Synthesis. Structural Studies. Infrared, Raman and UV-Vis spectroscopy. DFT calculations.