Density Functional Studies of 2-(4-bromophenyl)-2-(4-fluorophenylamino) acetonitrile
International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
www.ijsr.net | Open Access | Fully Refereed | Peer Reviewed International Journal

ISSN: 2319-7064



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Research Paper | Physics Science | India | Volume 6 Issue 10, October 2017

Density Functional Studies of 2-(4-bromophenyl)-2-(4-fluorophenylamino) acetonitrile

Sanjeev Kumar Trivedi

We have performed extensive theoretical calculations to investigate the structural and vibrational properties of 2- (4bromopheynyl) -2- (4-fluropheynylamino) acetonitrile (1). The molecular geometry, harmonic vibrational frequencies and bonding features of the molecule 1 at the ground state have been studied. The assignment of the fundamental vibrations modes have been done on the basis of the potential energy distribution (PED).

Keywords: Alpha-aminonitrile, Vibrational Analysis, FTIR, Molecular Orbital

Edition: Volume 6 Issue 10, October 2017

Pages: 220 - 224

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How to Cite this Article?

Sanjeev Kumar Trivedi, "Density Functional Studies of 2-(4-bromophenyl)-2-(4-fluorophenylamino) acetonitrile", International Journal of Science and Research (IJSR), https://www.ijsr.net/search_index_results_paperid.php?id=ART20177077, Volume 6 Issue 10, October 2017, 220 - 224

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