Research Article
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 (
) for PBDPP, PBTDPP, and PBBTDPP.
| | State | (eV/nm) | CI coefficients | Strength () |
| 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 |
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