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

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