Molecular structural confirmation and influence of hydrogen bond on third order nonlinear properties of bis(4-methylbenzylammonium) tetra chloridocadmate (II) single crystal

An organo-inorganic optical crystal, Bis(4-methylbenzylammonium) Tetra chlorido cadmate (II) [4MLBACD], was synthesized and grown by solution growth solvent evaporation technique at a temperature of 37 °C. The single crystal X-ray diffraction study showed that grown crystal belongs to orthorhombic crystal system with Pnma space group. It has various functional groups such as protonated NH3+, Cd-Cl and CH which was well established by FT-Raman spectroscopy. The lower cut off wavelength of 4MLBACD was found at 219 nm and the good transparency range was observed from 219 nm to 1100 nm. The molecular structure was confirmed by 1H NMR and 13C NMR spectroscopy. The carbon-hydrogen framework of the organic part of 4MLBACD and the influence of inorganic moiety over organic moiety was well identified and established. The presence of hydrogen bond in the molecular structure enhances the third order susceptibility (χ3) and the value was found to be 4.03 × 10−6 esu. It was analysed by Z-Scan technique. The third order optical nonlinear parameter such as absorption coefficient (β), refractive index (n2) and susceptibility (χ3) were also found.