Experimental and theoretical investigations of 4-hydroxy L-proline cadmium chloride nonlinear optical crystal.

The solution grown structure 4-hydroxy L-proline cadmium chloride (4HLPCC) single crystal has been done by means of X-ray diffraction method. The computational quantum mechanical modelling method was performed with B3LYP level and LanL2DZ basis set to determine optimized geometry, dipolar moment, linear polarizability, first order hyperpolarizability, atomic charges of various atoms, thermodynamic parameters, HOMO-LUMO energy gap and vibrational frequencies of 4HLPCC. The vibrational frequencies of 4HLPCC were observed experimentally through FTIR and FT-RAMAN analyses and compared with theoretical frequencies.

Synthesis, growth and characterization of a nonlinear optical crystal: Bis l-proline hydrogen nitrate.

The single crystals of bis l-proline hydrogen nitrate (BLPHN) belonging to non-centrosymmetric space group were successfully grown by the slow evaporation solution growth technique. The BLPHN crystals of size 10×7×3mm(3) were obtained in 35days. Initially, the solubility tests were carried out for two solvents such as deionized water and mixed of deionized water-acetone.

Growth, structural, spectroscopic and optical studies of pure and amino acid (glycine) doped methyl-para-hydroxy benzoate single crystals.

Methyl-para-hydroxy benzoate is a potential organic nonlinear optical (NLO) material. The pure and amino acid (glycine) doped MHB crystals are grown by slow evaporation solution growth technique. Single crystal X-ray diffraction studies of both pure and amino acid doped samples are carried out and the results are compared.

Growth and characterization of a new metal-organic nonlinear optical bis (thiourea) cadmium zinc chloride single crystals.

A new semiorganic nonlinear optical bis (thiourea) cadmium zinc chloride (BTCZC) crystal has been synthesized. BTCZC single crystals were grown from aqueous solution by slow evaporation technique. The solubility of BTCZC has been determined for various temperatures.

Synthesis growth and characterization of L-Valinium Picrate a new nonlinear optical crystal.

New nonlinear optical (NLO) single crystal of L-Valinium Picrate (LVP) was grown by slow evaporation solution growth technique at room temperature. The cell parameters of the grown crystal were estimated by single crystal X-ray diffraction analysis. The presence of functional groups was identified from Fourier transform infrared spectrum.