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      https://www.ias.ac.in/article/fulltext/boms/043/0272

    • Keywords

       

      Vibrational analysis; Hirshfeld surface; fluorescence; Z-scan studies.

    • Abstract

       

      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.

    • Author Affiliations

       

      N MANOPRADHA1 2 S GOWRI1 S RAMA3 K SELVARAJU2 K KIRUBAVATHI2 G VINITHA4

      1. Department of Physics, Cauvery College for Women (Autonomous), Tiruchirappalli 620 018, India
      2. PG and Research Department of Physics, Government Arts College (Affiliated to Bharathidasan University), Ariyalur 621 713, India
      3. Department of Physics, St. Joseph’s College of Engineering, Chennai 600 119, India
      4. Department of Physics, School of Advanced Sciences, VIT, Chennai 600 127, India
    • Dates

       
  • Bulletin of Materials Science | News

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