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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

Author

Listed:
  • Abhishek Kumar

    (Department of Physics, University of Lucknow, University Road, India)

  • Ambrish Kumar Srivastava
  • Ratnesh Kumar
  • 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)

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.

Suggested Citation

  • Abhishek Kumar & Ambrish Kumar Srivastava & Ratnesh Kumar & Goutam Brahmachari & Neeraj Misra, 2017. "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," Organic & Medicinal Chemistry International Journal, Juniper Publishers Inc., vol. 3(4), pages 87-90, September.
    • Handle: RePEc:adp:jomcij:v:3:y:2017:i:4:p:87-90
    DOI: 10.19080/OMCIJ.2017.03.555617
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