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

Table 1

Selected optimized bond length and dihedral angles of three polymers in the ground and excited state.

	T-DPP	DPP-T	T-T	T-B^a(BT^b/BBT^c)	B^a(BT^b/BBT^c)-T	T-T	T-DPP	DPP-T	T-T	T-B^a(BT^b/BBT^c)	B^a(BT^b/BBT^c)-T
Ground-state
Band length^a	1.44414	1.43808	1.44380	1.46121	1.46112	1.44365	1.43831	1.43780	1.44334	1.46211	1.46502
Band length^b	1.44410	1.43750	1.44256	1.45332	1.45104	1.44133	1.43785	1.43708	1.44222	1.45462	1.45665
Band length^c	1.44345	1.43563	1.43655	1.43691	1.43639	1.43502	1.43383	1.43406	1.43610	1.43885	1.44623
Inter-intra^a	18.96641	17.96440	−9.94571	21.51214	20.40410	−9.96365	13.76026	−11.22646	0.78283	23.92343	−24.31071
Inter-intra^b	19.37309	16.89443	−7.72928	−1.82834	−1.24510	−1.02007	11.78848	−13.89113	5.17861	−2.95138	−0.50836
Inter-intra^c	18.69428	15.32628	−7.11406	−0.27066	−0.54157	−4.32656	10.44882	−12.26616	3.06632	−0.08805	−0.00809
Excited state
Band length^a	1.44101	1.42714	1.43019	1.44328	1.44280	1.41882	1.41232	1.42029	1.43002	1.45603	1.46231
Band length^b	1.44248	1.42891	1.43112	1.43891	1.44230	1.42360	1.41655	1.42289	1.43045	1.44937	1.45356
Band length^c	1.44169	1.43092	1.43088	1.43029	1.43409	1.42869	1.42470	1.42672	1.43000	1.43681	1.44327
Interintra^a	18.09190	12.78461	−5.06364	1.39836	0.69850	−0.67672	5.70595	−8.55192	−0.66290	16.30034	−22.33211
Interintra^b	18.40059	13.89040	−4.15560	−0.47006	−1.05672	−0.86839	3.82800	−10.31825	2.70990	−0.32685	0.00412
Interintra^c	17.93294	13.76864	−4.96383	−0.08738	−0.34190	−1.99011	8.32850	−10.32846	1.68974	−0.07462	−0.04274

a,b,cStand for PBDPP, PBTDPP, and PBBTDPP, respectively.