Third-order NLO property of thienyl chalcone derivative: Physicochemical analysis and crystal structure determination

  • A. N. Prabhu, V. Upadhyaya, A. Jayarama, K. Subrahmanya Bhat
  • Molecular Crystals and Liquid Crystals, September 2016, Taylor & Francis
  • DOI: 10.1080/15421406.2016.1177921

Chalcone derivative with third order NLO property...

What is it about?

Good-quality single crystals of an efficient nonlinear optical (NLO) chalcone derivative 1-(5-chlorothiophen-2-yl)-3-(2,3-dichlorophenyl)prop-2-en-1-one (CTDCP) which meets many of the physicochemical requirements like transparency in the entire visible region, thermal stability, mechanical hardness have been achieved. The crystal belongs to orthorhombic system with the centrosymmetric space group Pbca. The third-order NLO properties were investigated using a single beam Z-scan technique with nanosecond laser pulses at 532 nm. The nonlinear refractive index is found to be of the order of 10−11 cm2/W. The magnitude of third-order susceptibility is of the order of 10−13 esu. The compound exhibits good optical limiting at 532 nm. The mechanical property of the crystals showed load dependent hardness. The static and frequency dependent molecular hyperpolarizabilities were computed using MOPAC 2012. Thermal study confirms that the crystal is dimensionally stable up to 179°C. The influence of direction of charge transfer on the nonlinearity of the molecule has been discussed in detail.

Why is it important?

Chalcones are simple organic compounds suitable for several applications. they are easy to synthesize in large quantity with high purity. Citation update: 12 times (Source: Google scholar)


Dr Subrahmanya Bhat K
Manipal Institute Of Technology, Manipal Academy of Higher Education

This paper is in continuation of several of our work in the field of this class of compounds. Other than optical arena, we explored such compounds as corrosion inhibitors for mild steel. Related publications: (i) A. N. Prabhu, A Jayarama, V Upadhyaya and K Subrahmanya Bhat, Synthesis, growth and characterization of pi conjugated organic nonlinear optical chalcone derivative, Mat Chem Phy, Vol 138, pp. 179-185, 2013. (ii) A. N. Prabhu, A Jayarama, K Subrahmanya Bhat, and V Upadhyaya, Growth, characterization and structural investigation of a novel nonlinear optical crystal, J Mol Str., Vol.1031, pp. 79-84, 2013. (iii) S. R. Prabhu, A. Jayarama, V. Upadhyaya, K. Subrahmanya Bhat, S. W. Ng, Structure and characterization of a novel chalcone crystal having nitro as an acceptor group, Mol. Cryst. Liq. Cryst., Vol 607, 200-214, 2015. (iv) Shubhalaxmi, Barbara Geidner, C. S. Chidan Kumar, Hoong-Kun Fun and K Subrahmanya Bhat, Synthesis and crystal structure studies of novel 4-tosyloxychalcone derivative, Mol. Cryst. Liq. Cryst., 623, 365-371, 2015. (v) H. Lgaz, K. S. Bhat, R. Salghi, Shubhalaxmi, S. Jodeh, M. Algarra, B. Hammouti, A. Essamri, Insights into corrosion inhibition behavior of three chalcone derivatives for mild steel in hydrochloric acid solution, J. Mol. Liq, Vol 238, 71-83, 2017. (vi) P.P Vinaya, A.N. Prabhu, K. Subrahmanya Bhat, V.Upadhyaya, Design, Growth and characterization of D-π-A-π-D based efficient nonlinear optical single crystal for optical device applications, J. Phy. Chem. Solids, 123, 300-310, 2018. (vii) P.P Vinaya, A.N. Prabhu, K. Subrahmanya Bhat, V.Upadhyaya, Synthesis, Growth and Characterization of a long-chain conjugation based methoxy chalcone derivative single crystal; a third order nonlinear optical material for optical limiting applications, Optical Materials, 89, 419-429, 2019.

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The following have contributed to this page: Dr Subrahmanya Bhat K