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

Table 4. Computed λ_max^cal, Energy of First Excitation (E_opt), Oscillator Strength (f_OC), Light-Harvesting Efficiency (LHE), as well as the Major Molecular Transitions, of PCLR along with PCLM1–PCLM5 in CHCl₃.

molecules	λ_max^cal (nm)	λ_max^exp(nm)	E_opt (eV)	f_OC	LHE	major molecular transitions (HOMO = H, LUMO = L)
PCLR	662	675	1.87	2.8808	0.9986	68%
PCLM1	796		1.56	3.9300	0.9999	65%
PCLM2	775		1.60	3.3894	0.9995	66%
PCLM3	874		1.42	3.6540	0.9998	66%
PCLM4	777		1.59	3.7123	0.9998	65%
PCLM5	959		1.32	3.5487	0.9997	64%

Table 4. Computed λmaxcal, Energy of First Excitation (Eopt), Oscillator Strength (fOC), Light-Harvesting Efficiency (LHE), as well as the Major Molecular Transitions, of PCLR along with PCLM1–PCLM5 in CHCl3.