Synthesis, structural, thermal and nonlinear optical characterization of benzotriazolinium picrate crystals

Abstract

A novel charge transfer complex, benzotriazolinium picrate, was prepared and crystallized by slow evaporation solution method at room temperature. Single crystal X-ray structure analysis of the complex has confirmed that the complex crystallizes in monoclinic system with P21/c space group. The complex has a strong absorption at 374 nm which indicates that it may be used an NLO material. The SHG efficiency of the grown crystal was confirmed using Kurtz-Perry powder technique and observed that the complex has SHG efficiency twice than that of potassium dihydrogen phosphate (KDP). The suitability of this material for optical applications was studied by optical transmittance spectroscopy technique which shows that it has 85% transmittance. The band gap energy was calculated to be 1.85 eV. The thermal stability of the complex was studied by thermogravimetric and differential thermal (TG-DTA) analyses and found that it is stable up to 110 °C. The emission spectrum of the complex shows green fluorescence emission at 490 nm. The various characteristic absorption bands were assigned through FTIR spectrum. © 2012 Elsevier GmbH.