Growth, spectral, laser damage and hirshfeld surface studies on configurationally locked 2-(3-(4-hydroxystyryl)-5,5-dimethylcyclohex-2-enylidene) malononitrile (OH1) single crystal- A potential terahertz emitter

Abstract

We report on the growth, spectral, optical, laser damage and Terahertz (THz) wave generation studies and Hirshfeld analysis of the pyrrolidine-based, configurationally locked, polyene single crystals 2-(3-(4-hydroxystyryl)-5,5-dimethylcyclohex-2-enylidene) malononitrile (OH1), a potential organic material for THz generation. The laboratory synthesized OH1 was verified for its composition and crystalline phase using Carbon–Hydrogen–Nitrogen (CHN) analysis and powder X-ray diffraction method respectively. The functional groups of OH1 were confirmed through Fourier transformed infrared analysis whereas its band gap energy was calculated using the UV–Vis spectrum recorded on (100) plate of thickness of about 1 mm. The laser damage studies performed by employing Q-switched Nd:YAG laser revealed that the OH1 crystals could withstand laser fluences of the order of about 2.21 GW/ cm2.Further, the OH1 single crystals were effectively used for the generation of intense THz waves using indigenously developed setup which comprises of a Ti: Sapphire laser (with 140 fs pulses) and detection using a pyroelectric sensor. Furthermore, 3D Hirshfeld surfaces and 2D finger print plots of OH1 were supportive in decoding the intermolecular interaction behaviour and the packing structure of the crystals.