A new organic SHG active salt 3-Nitroanilinium L-tartrate m-nitroaniline (MLM) was synthesized and optically good single crystals were grown by solvent evaporation solution growth method at room temperature. The structure of the crystal identified by single crystal XRD analyses and it belongs to monoclinic crystal system with polar space group P21. The functional groups present in product have been confirmed from the FT-IR spectral study. The optical transmission spectrum was recorded to examine the optical property of the title crystal. The thermo gravimetric and differential thermal analyses were carried out simultaneously to study the thermal behavior of the title crystal. The relative second harmonic generation activity of the title crystal was confirmed by the modified Kurtz-Perry powder test and it was found that the title crystal has 0.5 times second harmonic generation output than that of KDP.

A new organic salt, glycinium monochloroacetate (GMC) has been successfully synthesized and good optical quality single crystals grown by slow solvent evaporation solution growth technique at room temperature using Millipore water of resistivity 18Ω. The crystal structure of GMC has been determined by single crystal XRD analysis and it belongs to monoclinic crystal system with space group P21/n. Fourier transform infrared (FT-IR) spectral study has been carried out to confirm the presence of various functional groups. The UV–vis–NIR transmittance spectrum was recorded in the range 200–2500 nm to find the optical transmittance window and lower cut off wavelength of the GMC crystal. The thermogravimetric (TG) and differential thermal analyses (DTA) were carried out to establish the thermal stability of the title crystal.

A new organic non-linear optical salt 3-nitroanilinium trichloroacetate has been synthesized and single crystals grown by slow solvent evaporation solution growth technique at room temperature using methanol as the solvent. The 1H and 13C Nuclear magnetic resonance spectra were recorded to establish the molecular structure of the title salt. The crystal structure of the title crystal has been determined by single crystal X-ray diffraction analysis and it belongs to monoclinic crystal system with non-centrosymmetric space group P21. Fourier transform infrared spectral study has been carried out to confirm the presence of various functional groups. The optical transmittance spectrum was recorded in the range 200–2500 nm, to find the optical transmittance window and lower cut off wavelength. The thermo gravimetric and differential thermal analyses were carried out to establish the thermal stability of the title crystal. The second harmonic generation in the title crystal was confirmed by the modified Kurtz–Perry powder test employing the Nd: YAG laser as the source for infrared radiation.

An organic intermolecular charge transfer complex salt of 8-Hydroxy quinolinium 4-nitrobenzoate 4-nitrobenzoic acid (OPNB) has been synthesized. Single crystals of OPNB were grown by slow solvent evaporation solution growth technique at room temperature. The (1)H and (13)C NMR spectra were recorded to confirm the molecular structure of the complex salt. The crystal structure of OPNB has been determined by single crystal XRD analysis and it belongs to triclinic crystal system with space group P-1. Fourier transform infrared (FT-IR) spectral study has been carried out to identify the various functional groups present. The UV-Vis-NIR transmittance spectrum was recorded in the range 200-2500nm, to find the suitability of the single crystal for various optical applications. The thermal stability of the crystal was investigated using thermogravimetric (TG) and differential thermal analyses (DTA).

A new organic nonlinear optical hydrogen bonding complex salt of 3-carboxyl anilinium p-toluene sulfonate has been synthesized and highly transparent good quality single crystals of it were successfully grown employing slow solvent evaporation solution growth technique at ambient temperature. The (1)H and (13)C NMR spectra were recorded to establish the molecular structure. The single crystal XRD analysis carried out reveals that the title salt crystallizes in monoclinic crystal system with non-centrosymmetric P2₁ space group. The FT-IR spectrum was recorded to confirm the presence of various functional groups in the grown title crystal. The UV-Vis-NIR transmission spectrum was recorded to apprehend the suitability of the single crystal of the title salt for various optical and NLO applications. The TG/DTA thermal analysis was performed to establish the thermal stability of the crystal. The SHG activity in the grown crystal was identified employing the modified Kurtz-Perry powder test. The electronic charge distribution and reactivity of the molecules within the title complex was studied by HOMO and LUMO analysis and the molecular electrostatic potential (MEP) of the title crystal was performed using the B3LYP method.

A new organic intermolecular charge transfer complex 3-nitroaniline 4-methyl benzene sulfonate (NATS) has been successfully synthesized and good optical quality single crystals grown by slow solvent evaporation solution growth technique at room temperature using methanol as the solvent. The (1)H and (13)C NMR spectra were recorded to establish the molecular structure of the title complex. The crystal structure of NATS has been determined by single crystal XRD analysis and it belongs to orthorhombic crystal system with space group Pbca. Fourier transform infrared (FT-IR) spectral study has been carried out to confirm the presence of various functional groups present in the complex. Electronic absorption spectrum was recorded to find the prevalent charge transfer activity in the complex. The UV-Vis-NIR transmission spectrum was recorded in the range 200-2500 nm, to find the optical transmittance window and lower cut off wavelength of the title crystal. The thermal stability of the title complex crystal was studied by using thermo-gravimetric and differential thermal analyses and found that the compound is stable up to 215 °C.