Experimental and theoretical investigation on 2-amino 5-bromopyridinium L-tartrate-A new organic charge-transfer crystal for optoelectronics device applications

A new organic charge transfer (CT) complex of 2-amino 5-bromopyridinium L- tartrate (2A5BPTA) has been synthesized successfully and single crystals were grown by conventional slow evaporation solution technique (SEST). Single crystal X-ray diffraction analysis reveals that 2A5BPTA crystallized in orthorhombic system with noncentro symmetric space group P2₁2₁2₁. The various vibrational modes in the crystal were confirmed by FTIR analysis. Optical transmission analysis shows that 2A5BPTA is transparent in the entire visible region of electromagnetic spectrum. Spectral dependence of optical birefringence study was carried out over the wavelength range of 480–620 nm for the crystal thickness of 0.141 mm. Thermal behaviour of the grown crystal has been studied using thermogravimetric and differential thermal analysis. Dielectric studies were carried out for the grown crystal at a different temperature. Photoconductivity study shows that evidence of positive photoconducting nature at room temperature. The NLO characteristics and phase matching ability were explored by powder second harmonic generation studies. Phase matching studies were elucidated for the titled compound. The first order hyperpolarizability investigation was performed using the Gaussian 09 program with B3LYP method.