Figure 3

The excited and ground states (HOMO–LUMO) ΔE values for PCMR and PCMD1–D9 at M06/6-311G(d,p) and output files were calculated through Gaussian 09 version D.01.

The excited and ground states (HOMO–LUMO) ΔE values for PCMR and PCMD1–D9 at M06/6-311G(d,p) and output files were calculated through Gaussian 09 version D.01.