Synthesis spectral characterization and computational studies of organic single crystals for optoelectronic applications

Abstract

In recent years, crystal growth has become the most curious for many newlineresearchers, but growing quality crystals with required size is a more challenging newlinetask. Many research groups are working in the area of crystal growth as crystals newlineare widely used in variety of applications such as optoelectronics and biology newlinerelated fields. Organic materials are explored for such applications rather than inorganic newlinematerials due to the simple and rapid synthesis methodology followed newlineusing simple low cost methods for the synthesis of organic materials, choice of newlinedifferent number of precursors/ solvents available for organic materials and better newlineperformance of these materials at application testing. For better performance at newlineapplication level, perfect and transparent crystals are required. Earlier these newlinecrystals were explored and tested for biological and medical applications due to newlinetheir biocompatible nature. But later it was observed that their good optical and newlineelectrical properties and conjugated structure, made them to exhibit nonlinear newlineoptical (NLO) nature. newlineBasically, NLO behaviour is a result of these conjugations which supports newlineits applicability in photovoltaics, optical devices and optoelectronics. newlinePolarizability, hyperpolarizability and band gap are the important properties of newlineinterest which are required to choose them for suitable applications. To study newlinethese properties and identify the various alternative materials, a thorough newlineunderstanding of structure-property co relationship of any new compound with newlinetheoretical with experimental support is required. To collect all detailed newlineinformation DFT- B3LYP/6-311++G (d,p) method along with spectroscopic newlineanalytical techniques are used. newline