Synthesis, Molecular Structure and Theoretical Investigation of Optical and Electronic Properties of New Crystalline Polymer: [(C6H5NH3)2Cd(SCN)2Cl2]n

A new crystalline polymer compound {(C6H5NH3)2Cd(SCN)2Cl2}n was synthesized and analyzed using single crystal XRD,UV–Vis spectroscopy. The crystal structure refinement shows that this ionic material crystallizes at 298 K in the monoclinic system (C2/c space group). The cohesion and the stability of the polymeric structure is assured by (i) the establishment of N–H···Cl and N–H···N (NCS) hydrogen bonding contacts between the (C6H5NH3)+ cations...