B3LYP density functional theory calculations were used together with 6-31 G basis sets to determine the geometrical parameters of benzamide and di-fluorine benzamide molecules. We showed the calculated bonds are agree with those for aromatic rings with good values of virial ratio for all molecules. The density of states for benzamide molecule was effected by adding the fluorine atoms in the terminal ends of phenyl rings, di-fluorine benzamide have large number of degeneracy of energy levels in comparison with benzamide structure.
Cite this article:
Fatin Fadhel Mahmood. Optimization Geometry of Benzamide and Di-Fluorine Benzamide Molecules. Research J. Pharm. and Tech 2018; 11(9):3978-3982. doi: Research J. Pharm. and Tech 2018; 11(9):3978-3982.