FT-IR, FT-RAMAN SPECTROSCOPIC VIBRATIONAL ANALYSIS OF 2 AMINO 3 BROMO PYRIDIN

Abstract

The optimized structure of 2 Amino 3 Bromo Pyridin (2A3BP) has been done bydensity functional theory (DFT) with B3LYP level and 6-311G++ (d,p) basis set. Thefundamental vibrational frequencies of 2 Amino 3 Bromo Pyridin are calculated usingdensity functional theory (DFT) methods at different levels of calculation. The HOMOLUMOenergies have been investigated which proposes that the probability of chargetransfer to take place inside the molecule. Mulliken population study on atomic chargeswas also calculated.