Abstract
A novel organic-inorganic hybrid compound, bis(2-ethyl-6-methylanilinium) tetrachlorocadmate(II) [C9H14N](2)CdCl4, has been prepared from an aqueous solution by slow evaporation at room temperature and characterized by various techniques, mainly single crystal X-ray diffraction. This compound belongs to the monoclinic space group P2(1)/c with the unit cell parameters: a = 23.0418 (1), b = 26.3393 (9), c = 7.2196 (6)angstrom, beta = 96.9900 (16)degrees and Z = 4. In the crystal structure, the inorganic entities consist of one-dimensional polymeric chains of Cd(1)Cl-6 octahedra alternating with Cd(2)(2)Cl-8 dimers. The organic cations are located between the inorganic species. The cohesion and stability of the crystal structure is maintained thanks to N-H horizontal ellipsis Cl hydrogen bond and pi-pi stacking interactions between neighboring aromatic cations. The intermolecular interactions in the crystal framework were analyzed by Hirshfeld surface and two-dimensional (2D) fingerprint plots. The C-13 and N-15 CP-MAS NMR spectra are discussed and the vibrational absorption bands were identified by infrared spectroscopy. The title compound exhibited two fluorescence emissions at 310 and 617 nm in the solid state at room temperature. The theoretical computation was made by using the DFT method. Finally, the thermal behavior revealed that this compound is stable until 456 K.