Effect of Electronic Acceptor Segments on Photophysical Properties of Low-Band-Gap Ambipolar Polymers

Table 2

Calculated transition energies (eV, nm), CI coefficients, and oscillator strengths (𝑓) for PBDPP, PBTDPP, and PBBTDPP.

	State	𝐸 (eV/nm)	CI coefficients	Strength (𝑓)
PBDPP	1	2.1891 (566.37)	(0.61429) H→L	2.7654
	2	2.4465 (506.77)	(0.52406) H − 1→L	0.5734
	3	3.0869 (401.64)	(0.38489) H − 2→L; (0.37420) H→L + 1	0.1879
	4	3.3007 (375.63)	(0.37551) H − 3→L + 1	1.4478
	5	3.4302 (361.45)	(0.31621) H→L + 2	0.0079
	6	3.5060 (353.63)	(0.35875) H − 3→L + 1	0.1306
	7	3.6010 (344.30)	(0.55590) H − 6→L	0.0079
	8	3.6297 (341.58)	(0.50177) H − 8→L + 1	0.0109
	9	3.6501 (339.68)	(0.29316) H − 8→L + 1; (0.25410) H − 1→L + 3	0.0337
	10	3.7491 (330.70)	(0.32060) H→L + 1	0.0045
PBTDPP	1	1.9737 (628.18)	(0.55350) H→L	3.7597
	2	2.2795 (543.90)	(0.41198) H − 1→L	0.0488
	3	2.5570 (484.88)	(0.29044) H→L + 2; (0.29044) H − 2→L	0.2844
	4	2.6907 (460.79)	(0.37669) H→L + 3	0.1304
	5	2.9725 (417.11)	(0.39870) H − 1→L	0.0016
	6	3.1739 (390.63)	(0.38543) H − 2→L	0.0019
	7	3.2606 (380.25)	(0.35660) H − 3→L	0.4317
	8	3.3159 (373.91)	(0.28866) H − 2→L + 2; (0.28368) H→L + 4	0.0234
	9	3.4327 (361.19)	(0.26754) H − 2→L + 3; (0.26754) H − 3→L + 2	0.0366
	10	3.4761 (356.68)	(0.27111) H − 3→L + 3	0.3190
PBBTDPP	1	1.1434 (1084.32)	(0.60142) H→L	2.3231
	2	1.3824 (896.88)	(0.44301) H→L + 1	0.2545
	3	1.8970 (653.57)	(0.52437) H − 1→L	0.0131
	4	2.0583 (602.36)	(0.43842) H→L + 1	0.1684
	5	2.1955 (564.73)	(0.45129) H − 2→L	0.4115
	6	2.3714 (522.83)	(0.53522) H→L + 2	0.5742
	7	2.4918 (497.57)	(0.39465) H→L + 3	0.4517
	8	2.5491 (486.39)	(0.48457) H − 1→L + 1	0.0376
	9	2.6544 (467.09)	(0.42196) H − 3→L	0.0241
	10	2.9483 (420.52)	(0.56096) H − 4→L	0.0009