ISSN : 0970 - 020X, ONLINE ISSN : 2231-5039
     FacebookTwitterLinkedinMendeley

Abstract

A Comparison Between Different Properties of Bromoxynil and its Derivatives by DFT Method

R.P. Singh Grewal1 and Girija Sharma2

DOI : http://dx.doi.org/10.13005/ojc/330565


Abstract:

In this work, we perform a set of quantum mechanical calculations on compounds bromoxynil and its derivatives. Various properties entropy, dipole moment, energy, IR spectra studied by using DFT method in Gaussian calculations. The solubility and inhibition power of these compounds compared with each other. IR frequencies compared with experimental values.

Keywords:

DFT; Bromoxynil; Dipole moment; entropy; IR spectra

[ View HTML Full Text]

Back to TOC