Journal of the American Chemical Society
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Wang, J.; Chepelianskii, A.; Gao, F.; Greenham, N. C.,
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able ΔEST. A preliminary screen of materials using TD-DFT
shows that using this approach it is possible to fully ma-
nipulate ΔEST across a wide energetic range and to vary the
band-gap across the visible spectrum (Fig. S7). There are
two key advantages to the donor-orthogonal-acceptor de-
sign; firstly it allows for an additional dimension of tuna-
bility (energetically and morphologically) via conjugated
polymer backbone manipulation and secondly, charge
transport routes along the polymer backbone are main-
tained allowing chemists to enter a previously unexplored
design space in conjugated polymer synthesis.
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Méhes, G.; Goushi, K.; Potscavage Jr, W. J.; Adachi, C.,
Méhes, G.; Nomura, H.; Zhang, Q.; Nakagawa, T.;
ASSOCIATED CONTENT
Synthesis and characterization of polymers, additional spec-
troscopic measurements and theoretical calculations. This
material is available free of charge via the Internet at
Png, R.-Q.; Chia, P.-J.; Tang, J.-C.; Liu, B.; Sivarama-
King, S. M.; Hintschich, S. I.; Dai, D.; Rothe, C.; Monk-
AUTHOR INFORMATION
Corresponding Authors
(19)
Hintschich, S. I.; Rothe, C.; King, S. M.; Clark, S. J.;
* a.musser@sheffield.ac.uk
*rhf10@cam.ac.uk
*h.bronstein@ucl.ac.uk
Monkman, A. P., J. Phys. Chem. B 2008, 112, 16300.
(20) dos Santos, P. L.; Dias, F. B.; Monkman, A. P., J. Phys.
Chem. C 2016, 120, 18259.
(21)
Wang, X.; Zhao, L.; Shao, S.; Ding, J.; Wang, L.; Jing, X.;
Present Addresses
Wang, F., Polym. Chem. 2014, 5, 6444.
(22) Wan, Y.; Guo, Z.; Zhu, T.; Yan, S.; Johnson, J.; Huang, L.,
Nat. Chem. 2015, 7, 785.
(23) Devižis, A.; Serbenta, A.; Meerholz, K.; Hertel, D.;
Gulbinas, V., J. Chem. Phys. 2009, 131, 104902.
(24) Rothe, C.; King, S. M.; Monkman, A. P., Phys. Rev. B
2005, 72, 085220.
(25) Stern, H. L.; Musser, A. J.; Gelinas, S.; Parkinson, P.;
Herz, L. M.; Bruzek, M. J.; Anthony, J.; Friend, R. H.; Walker, B. J.,
Proc. Natl. Acad. Sci. 2015, 112, 7656.
(26) Korovina, N. V.; Das, S.; Nett, Z.; Feng, X.; Joy, J.; Haiges,
R.; Krylov, A. I.; Bradforth, S. E.; Thompson, M. E., J. Am. Chem.
Soc. 2016, 138, 617.
(27) Pensack, R. D.; Ostroumov, E. E.; Tilley, A. J.; Mazza, S.;
Grieco, C.; Thorley, K. J.; Asbury, J. B.; Seferos, D. S.; Anthony, J.
E.; Scholes, G. D., J. Phys. Chem. Lett. 2016, 7, 2370.
(28) Bakulin, A. A.; Morgan, S. E.; Kehoe, T. B.; Wilson, M.
W. B.; Chin, A. W.; Zigmantas, D.; Egorova, D.; Rao, A., Nat.
Chem. 2016, 8, 16.
† Dr Andrew Musser
The Department of Physics and Astronomy
Hicks Building
Hounsfield Road
Sheffield, S3 7RH
United Kingdom
Author Contributions
‡These authors contributed equally.
ACKNOWLEDGMENT
Part of this work was funded by EU project 679789 –
CONTREX. AJM was supported by the EPSRC (EP/M01083X).
HLS was supported by the Winton Programme for the Phys-
ics of Sustainability.
(29) Saragi, T. P. I.; Spehr, T.; Siebert, A.; Fuhrmann-Lieker,
T.; Salbeck, J., Chem. Rev. 2007, 107, 1011.
(30) Hait, D.; Zhu, T.; McMahon, D. P.; Van Voorhis, T., J.
Chem. Theory Comput. 2016, 12, 3353.
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