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Research Paper | Physics Science | India | Volume 6 Issue 10, October 2017 | Rating: 6.3 / 10
Density Functional Studies of 2-(4-bromophenyl)-2-(4-fluorophenylamino) acetonitrile
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