Figure 14

(a) The optimized molecular structure, homo, lumo and, total negative charge of the investigated 6a and 6b using (DFT) 6-311G (d,p) basis set method.

(a) The optimized molecular structure, homo, lumo and, total negative charge of the investigated 6a and 6b using (DFT) 6-311G (d,p) basis set method.