. 2021 Apr 19;12(20):7012–7022. doi: 10.1039/d1sc01268a

Calculated IP, EA and E_gap (in eV) for the neat PCPDTPT tetramer and for the different LAB adducts. Excitation wavelength (in nm), energy (in eV) and oscillator strength (f) of the lowest electronic transition S₀–S₁ are also reported.

	IP	EA	E _gap	E(S₀–S₁)	f(S₀–S₁)
PCPDTPT	4.73	2.89	1.84	864/1.43	2.68
w/BF₃	4.88	3.08	1.80	892/1.39	2.41
w/BCF	4.96	3.17	1.79	910/1.36	1.26
w/BBr₃	4.93	3.23	1.70	940/1.32	1.92

Calculated IP, EA and Egap (in eV) for the neat PCPDTPT tetramer and for the different LAB adducts. Excitation wavelength (in nm), energy (in eV) and oscillator strength (f) of the lowest electronic transition S0–S1 are also reported.