Organic single crystals of 2-picolinictrichloroacetate (PTCA) have been successfully grown by slow evaporation technique. The structural and optical characterization of the PTCA is analysed experimentally by Fouriertransform infrared and UV–visible spectroscopic technique and theoretical studies, by density functional theory method. The charge transfer interactions leading to nonlinear properties taking place in the molecule have been studied by highest energy occupied molecular orbital and lowest energy unoccupied molecular orbital analysis and natural bond orbital analysis. Open-aperture Z-scan results on evaluating the nonlinear optical properties experimentally, confirm these materials as good optical limiters. In addition, the PTCA exhibits a blue luminescence emission which shows that it is a potential material for OLED device applications.
Volume 43, 2020
Continuous Article Publishing mode
Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020
Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020
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