Synthesis, crystal structure, Hirshfeld surface analysis and nonlinear optical characteristics of glycine cobalt sulfate pentahydrate single crystal

Abstract

This article encapsulates about synthesis and growth aspects of glycine cobalt sulfate pentahydrate (GCS) single crystal. It was grown using slow evaporation solution technique (SEST) at ambient conditions. The structural details were scrutinized from single crystal X-ray diffraction. FTIR analysis was carried out to confirm the presence of functional groups. The evaluation of intermolecular interactions was done through Hirshfeld surface analysis. Among the computational details, HOMO-LUMO studies were used to explain the electronic properties of the grown molecule. To understand the areas that are chemically active, the molecular electrostatic potential (MEP) was developed. The Mulliken atomic charge was done to know the distribution of charges within atoms. Optical quality of titled crystal was analysed through UV–visible spectroscopy. The investigation of third order nonlinear property was done using Z-scan technique with a femtosecond Ti:sapphire laser and estimation of nonlinear absorption coefficient was done.