Structure and Characterization of a Novel Chalcone Crystal Having Nitro as an Acceptor Group

  • Shobha R. Prabhu, A. Jayarama, V. Upadhyaya, K. Subrahmanya Bhat, Seik Weng Ng
  • Molecular Crystals and Liquid Crystals, January 2015, Taylor & Francis
  • DOI: 10.1080/15421406.2014.928434

Chalcone as NLO material....

What is it about?

A novel organic nonlinear optical (NLO) compound (2E)-3-(2-methylphenyl)-1-(4-nitrophenyl) prop-2-en-1-one (2MPNP) has been synthesized and grown as a high-quality single crystal by the slow evaporation technique. 2MPNP crystals were characterized by FT-IR, UV-Vis-NIR, NMR, DSC, and Single Crystal XRD techniques. 2MPNP crystallizes in the orthorhombic crystal class in the noncentrosymmetric space group Pca21 with cell parameters a = 29.905(4) Å, b = 4.8241(5) Å, c = 9.0984(10) Å, α = β = γ = 90.00°, and V = 1312.58 Å3 and Z = 4. Second harmonic generation (SHG) efficiency of the grown crystal was found to be 1.17 times that of urea. Thermal analysis reveals that the crystal has better thermal stability.

Why is it important?

These type of compounds are useful for laser application. Preparation of compounds is easy and it is single step.


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

We are also working on similar molecules to obtain improved chalcones with better stability and other parameters for laser applications. Note: This article has been cited more than 18 times so far (update: 12/04/2019) Related articles; (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) 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. (iv) 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. (v) 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. (vi) 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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