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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
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
Similar Articles with Keyword 'Vibrational Analysis'
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Research Paper, Physics Science, India, Volume 6 Issue 9, September 2017
Pages: 1635 - 1639Theoretical Study of (RS) - (4-fluorophenyl) (pyridine-2yl) methanol using Density Functional Theory
Sanjeev Kumar Trivedi [2] | C. K. Dixit
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Research Proposals or Synopsis, Physics Science, India, Volume 5 Issue 9, September 2016
Pages: 902 - 918Determination of Structural and Vibrational Spectroscopic Properties of 4-Amino-2, 2, 6, 6-tetramethylpiperidine using FT-IR and FT-Raman Experimental Techniques and Quantum Chemical Calculations
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