Synthesis and Characterization of Bis(4-methylbenzylammonium)‎ Tetrachloridocadmate(II)‎

Abstract EN

The crystal structure of the new inorganic-organic hybrid compound [4-CH3C6H4CH2NH3]2[CdCl4] has been determined by single crystal X-ray diffraction.

The compound crystallizes in the orthorhombic space group Pnma with lattice parameters a=10.721(2), b=33.986(6), c=5.326(1) Å, β=97.222(1)°, V=1940.8(7) Å3, and Z=4.

The framework of the title compound is built upon layers parallel to (010) made up from corner-sharing CdCl6 octahedra.

4-Methylbenzylammonium cations are situated between the layers and connect them via an N–H⋯Cl hydrogen bonding network.

The Cd atom is located on an inversion centre, and the coordination environment is described as distorted octahedral.

Solid state 13C CP-MAS NMR spectroscopy is in agreement with the X-ray structure.

DFT calculations allow the attribution of the carbon peaks to the independent crystallographic sites.

Thermal analysis and infrared spectroscopy were also used to characterize the complex.