• M THAIRIYARAJA

      Articles written in Bulletin of Materials Science

    • Crystal growth, structural, nonlinear, optical and theoretical investigations of L-histidinium trichloroacetate single crystals

      H NALINI M THAIRIYARAJA C ARUNAGIRI D MANIVANNAN V CHARLES VINCENT K KIRUBAVATHI K SELVARAJU

      More Details Abstract Fulltext PDF

      The semi-organic nonlinear optical materials, L-histidinium trichloroacetate (LHTCA) single crystals are prepared by using solvent evaporation method. The prepared LHTCA crystal structures were analysed by X-ray examination.The UV–visible optical transparency of the grown crystal was accessed in the range of 200–1200 nm and it shows the LHTCA has high optical transparency in the UV region. From the Kurtz and Perry powder SHG method shows the NLO assets of the crystal, also laser damage threshold studies are analysed, and the grown crystals show the suitability for NLO applications. The quantum chemical computations have been carried out through DFT. It recognizes the geometricaland electronic structural properties, such as FMO, MEP and hyperpolarizability of the crystal and it suggests various intermolecular interactions especially hydrogen bonding. The various functional groups were analysed using FTIR andRaman spectra and the vibrational frequencies from experimental and theoretical values were evaluated. From the above analyses, the solution grown LHTCA crystal is suitable for NLO applications.

  • Bulletin of Materials Science | News

    • Dr Shanti Swarup Bhatnagar for Science and Technology

      Posted on October 12, 2020

      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

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2021-2022 Indian Academy of Sciences, Bengaluru.