. 2022 Jun 8;7(24):20528–20541. doi: 10.1021/acsomega.2c00001

Table 7. Theoretically Computed Values of Binding Energy (E_b) from the Energy Gap (E_L-H) between the FMOs and the Excitation Energy (E_opt) of PCLR and PCLM1–PCLM5.

molecules	E_L-H (eV)	E_opt (eV)	E_b (eV)
PCLR	2.27	1.87	0.40
PCLM1	1.92	1.56	0.36
PCLM2	1.99	1.60	0.39
PCLM3	1.80	1.42	0.38
PCLM4	1.97	1.60	0.37
PCLM5	1.66	1.32	0.34

Table 7. Theoretically Computed Values of Binding Energy (Eb) from the Energy Gap (EL-H) between the FMOs and the Excitation Energy (Eopt) of PCLR and PCLM1–PCLM5.