International Journal of Life science and Pharma Reviews (IJLPR)  
   
 
International Journal of Life science and Pharma Research (IJLPR)
Life Science
Volume 8 Issue 3, July-September 2018    Pages:24-30
NON-LINEAR OPTICAL PROPERTIES STUDY OF TWO HETEROCYCLIC COMPOUNDS

V.T. MUTTANNAVAR, RAVEENDRA. MELAVANKI*, P. BHAVYA, RAVIRAJ KUSANUR, N. R. PATIL AND L. R. NAIK
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DOI: http://dx.doi.org/10.22376/ijpbs/lpr.2018.8.3.L24-30
Abstract:
In an attempt towards understanding the relation between molecular structure-nonlinear optic activity (NLO) among heterocycles, with special reference to the identity, number and position of the heteroatom, semiempirical calculations were carried out. This paper reports the Non-linear optical properties of two heterocyclic compounds namely 3-[2-Oxo-2-(2-oxo-2H-chromen-3-yl)-ethylidene]-1,3-dihydro-indol-2-one (3OCEDI) and Quinolin-8-ol (QL). To understand the Non- Linear Optical properties of coumarin dyes we computed dipole moment (μ), electronic polarizability (α), and the mean was first hyperpolarizability (βo) using B3LYP density functional theory method in conjunction with 6-31G(d, p) basis set.All the calculations were carried out in gas phase and in acetonitrile medium. The optimized geometry of both compounds shows a 3D helical structure. The results indicate that given the same number and type of atoms and double bonds in a molecule, linear conjugation excels over cyclic or crossed conjugation in enhancing hyperpolarizabilities and it seems to be far more critical than a chiral centre.
Keywords: NLO, 3OCEDI, QL, DFT, dipole moment, polarizability, hyperpolarizability
 
 
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