“…Hybrid compounds based on cadmium halide have constantly attracted much attention because the Cd 2+ ion with a d 10 configuration show a variety of coordination numbers, geometries and structural flexibility depending on crystal packing and ligands. Besides, the anionic sub-lattice of the crystal may consist of a simple discrete octahedral, one-dimensional chain, 2D or 3D anionic framework [17][18][19]. Although many organo-bromocadmate compounds have been synthesized and characterized, by single-crystal X-ray diffraction, only some of them have been studied theoretically, even though computational analysis has become one of the effective methods to gain information about the electronic, reactivity and thermodynamic properties of this type of compounds.…”