Crystal growth, physical properties, and theoretical investigation on organic acentric single crystal towards efficient second-order NLO applications: Triphenylguanidine
作者： M. S. Kajamuhideen , K. Sethuraman , K. Ramamurthi
DOI: 10.1007/S00339-018-2190-4
关键词: Orthorhombic crystal system 、 Hyperpolarizability 、 Thermal stability 、 Analytical chemistry 、 Fourier transform 、 Band gap 、 Single crystal 、 Dielectric 、 Crystal growth 、 Materials science
摘要: A novel organic nonlinear optical crystal Triphenylguanidine (TPG) was grown by the solvent evaporation method. Single-crystal X-ray diffraction (XRD) studies showed that TPG compound crystallizes in orthorhombic system with Pna21 space group and corresponding lattice planes of reflections were indexed using powder XRD studies. Fourier transform infrared Raman revealed presence various functional groups crystal. The molecular structure also confirmed NMR UV–Vis validate aptness towards applications. shows blue emission from photoluminescence mechanical stability identified Vickers microhardness Dielectric carried out as a function frequency at room temperature. Powder SHG effective nonlinearity is about 2.3 times standard KDP. thermal investigated TG-DTA Using Gaussian 03 program HOMO–LUMO energy gap first-order hyperpolarizability value for molecule calculated. calculated 17 urea.
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