International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
Call for Papers | Fully Refereed | Open Access | Double Blind Peer Reviewed

ISSN: 2319-7064


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Research Paper | Physics Science | India | Volume 6 Issue 10, October 2017 | Popularity: 6.3 / 10


     

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

Sanjeev Kumar Trivedi


Abstract: 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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Sanjeev Kumar Trivedi, "Density Functional Studies of 2-(4-bromophenyl)-2-(4-fluorophenylamino) acetonitrile", International Journal of Science and Research (IJSR), Volume 6 Issue 10, October 2017, pp. 220-224, URL: https://www.ijsr.net/getabstract.php?paperid=ART20177077, DOI: https://www.doi.org/10.21275/ART20177077



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