Quantum chemical study on 2-bromo-3-hydroxy-6-methyl pyridine- A D. F. T. study

Apoorva Dwivedi, Anoop Kumar P

Abstract

We have done a study of 2-Bromo-3-hydroxy-6-Methyl Pyridine with B3LYP with 6-311 G (d, p) as the basis set. Here we have studied their structure, vibrational assignments, thermal, electronic and optical properties of 2- Bromo-3-hydroxy-6-Methyl Pyridine. We have plotted frontier orbital HOMO- LUMO surfaces, Molecular electrostatic potential surfaces to explain the reactive nature of 2-Bromo-3-hydroxy-6-Methyl Pyridine