Figure 5.

Representation of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) at the elected method of DFT/MPW1PW91/6-31G (d,p), of PCLR and PCLM1-–PCLM5.

Representation of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) at the elected method of DFT/MPW1PW91/6-31G (d,p), of PCLR and PCLM1-–PCLM5.