DFT study of the str ucture an d electronic properties of ۴-Bromo-۲-(۲ , ۵-dichloro-phen ylimino)-m ethyl]-ph enol

Schiff base compounds have been of gro wing interest for many yares, beca use they play an important role in the extensive of coordin ation chemistry. They having imine groups (-C =N-) and phenyl rings [۱-۲]. Therefore, Schif f base compounds and their derivatives have been widel y applied f or use in chemistry a nd medicine . In this paper, we have reported the thermodynamic and electronic properties of this molecule of the title co mpound was also performed at B۳LYP/۶-۳۱G* method.

کلیدواژه ها:

BDPMP ، DFT ، H OMO-LUM O ، Quantu m molecular descriptors