Nonlinear Optical Property Of 6’-Amino-5-Fluoro -2-Oxo-3’-Propyl-2’H-Spiro[Indoline-3,4’-Pyrano [2,3-C]Pyrazole]-5’-Carbonitrile- A Theoretical Approach

Abhishek Kumar, Ambrish Kumar Srivastava, Ratnesh Kumar, Goutam Brahmachari and Neeraj Misra
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Abhishek Kumar: Department of Physics, University of Lucknow, University Road, India
Goutam Brahmachari: Department of Physics, Veer Kunwar Singh University, India
Neeraj Misra: Laboratory of Natural Products & Organic Synthesis, Department of Chemistry, Visva-Bharati (a Central University), India

Organic & Medicinal Chemistry International Journal, 2017, vol. 3, issue 4, 87-90

Abstract: We present a DFT based study of the non-liniear optical property of 6’-Amino-5-fluoro-2-oxo-3’-propyl-2’H-spiro[indoline-3,4’-pyrano[2,3-c]pyrazole]-5’-carbonitrile. The geometry optimization first static hyperpolarizability, dipole moment and polarizability of the compound are performed using B3LYP/6-311+G(d,p) level of theory. The calculated hyperpolarizability, dipole moment and polarizability of the title compound is compared with urea at the same level of theory. The study reveals that the title compound possesses large value than urea hence in general may have potential application in the development of nonlinear optical material.

Keywords: juniper publishers:Medicinal Chemistry; Biochemistry Journal; Pharmacology Journal; biochemical pharmacology; molecular pharmacology; biochemistry; open access journals; peer reviewed journals; Open Access; Journal of Molecular Biochemistry; International Research Journal of Pure and Applied Chemistry; World Journal of Biological Chemistry; Biochemistry and Analytical Biochemistry; Biochemistry & Physiology: Open Access; Molecular Biology International; Plant Biochemistry & Physiology; International Journal of Molecular Sciences; Journal of Clinical and Medical Genomics; Environmental Analytical Chemistry; Medicinal Chemistry; Juniper publishers reivews (search for similar items in EconPapers)
Date: 2017
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Persistent link: https://EconPapers.repec.org/RePEc:adp:jomcij:v:3:y:2017:i:4:p:87-90

DOI: 10.19080/OMCIJ.2017.03.555617

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