In the present investigation five number of Schiff base derivatives was synthesized and characterized by FT-IR, and spectra. To identify the stable structure of the molecule meticulous conformational analysis was performed. The optimized geometrical parameters obtained by DFT calculations using B3LYP/6-31G(d,p) level method. The calculated HOMO and LUMO energies show that the charge transfers occur with in the molecule. Mulliken charges were also calculated using B3LYP/6-31G(d,p) level method. Besides, molecular electrostatic potential (MEP) were performed by the DFT method.
Select your language of interest to view the total content in your interested language
Der Pharma Chemica received 11575 citations as per Google Scholar report