Synthesis, crystal structure and non-linear optical properties of inorganic-organic hybrid compound based on face-sharing octahedral [PbBr3](infinity) chains

摘要

4-BenzylPiPeridine-PbBr3 has been synthesized. The crystal structures of the title compound have been defined by X-ray diffraction analysis and characterized by FT-IR, Raman and UV-visible instrumental methods. The recorded spectrum by UV-visible spectroscopy for the investigated compound show good transparency in the visible region. This result indicates a non-zero value of the first Hyperpolarizability. We also report DFT calculations of the electric dipole moments (mu), Polarizability (alpha), the first Hyperpolarizability (beta) and HOMO-LUMO analysis of the title compound was theoretically investigated by Gaussian 03 package. Our results suggest that the investigated material might have microscopic non-linear optical behavior with non-zero values. (C) 2015 Elsevier B.V. All rights reserved.