. 2022 Jan 26;7(5):3963–3977. doi: 10.1021/acsomega.1c04598

Table 4. Summary of the Maximum Theoretical λ_max and Experimental λ_max^Exp Absorption Wavelength, Excitation Energy E_exc, Oscillator Strength f_osc, Contribution of the Most Probable Transition, and the Light-Harvesting Efficiency (LHE) of the Studied Compounds.

molecule	λ_max (nm)	λ_max^Exp (nm)	E_exc (eV)	f_osc	composition	LHE
toluene
*BDP-Is*	508.196	506	2.440	0.654	H → L+3 (98%)	0.778
*BDP-Pyr*	503.564	505	2.462	0.652	H → L+3 (97%)	0.776
*B2-Is*	599.410	591	2.068	0.821	H → L+3 (97%)	0.856
*B2-Pyr*	596.508	589	2.078	0.848	H → L+3 (98%)	0.853
methanol
*BDP-Is*	499.775		2.481	0.602	H → L+3 (97%)	0.751
*BDP-Pyr*	495.159		2.505	0.606	H → L+3 (98%)	0.753
*B2-Is*	594.200		2.087	0.782	H → L+3 (97%)	0.824
*B2-Pyr*	590.170		2.101	0.780	H → L+2 (98%)	0.823

Table 4. Summary of the Maximum Theoretical λmax and Experimental λmaxExp Absorption Wavelength, Excitation Energy Eexc, Oscillator Strength fosc, Contribution of the Most Probable Transition, and the Light-Harvesting Efficiency (LHE) of the Studied Compounds.