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

Calculated IP, EA and transport gap E_gap (in eV) for the neat PFPT tetramer and for the different Lewis acid-base (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)
PFPT	5.43	2.62	2.81	546/2.27	2.23
w/BF₃	5.55	2.89	2.66	586/2.12	1.16
w/BCF	5.57	3.01	2.56	607/2.04	0.92
w/BBr₃	5.57	3.11	2.46	628/1.97	0.92

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