Elaboration, Crystal Structure, Physicochemical Characterization and DFT Theoretical Calculation of a New Cd(II) Complex [C9H14N]2CdCl4

The Coordination Behavior of Two New Complexes, [(C7H10NO2)CdCl3]n(I) and [(C7H9NO2)CuCl2] (II), Based on 2,6-Dimethanolpyridine; Elaboration of the Structure and Hirshfeld Surface, Optical, Spectroscopic and Thermal Analysis

“…In the crystalline structure of (I), two neighboring cadmium atoms are connected by µ2-Cl bridges involving Cl1 and Cl3 atoms (Figure 4), leading to a 1D polymeric chain running along the b-axis. As a result, five chlorine atoms and one oxygen atom surround each cadmium atom, constituting a deformed [CdCl 5 O] − octahedron with the Cd-X bond length (X = Cl or O) range from 2.4214 (7) to 2.6372 (2) Å and the X-Cd-X range from 80.281 (17) to 174.545 (18) • . The distance between successive metal cadmium is 3.846 (0) Å and the Cd-Cd-Cd angle is 164.58(1) • , showing that the polymeric chains are approximately linear.…”

“…The choice of the metal and the ligand is critical in generating the desired compound with developed physicochemical characteristics. In this regard, compounds based on cadmium (II) and copper (II) offer a potential class of materials with different structural patterns [ 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 ]. Chemists are interested in cadmium-based hybrid complexes because of their structural flexibility, which is connected to the variety of coordination numbers and geometries of the Cd cation (with the d 10 configuration) relying on crystalline packing and ligands.…”