Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Optical and Polarity Control of Donor–Acceptor Conformation and Their Charge-Transfer States in Thermally Activated Delayed-Fluorescence Molecules
AU - Santos, Paloma L. dos
AU - Ward, Jonathan S.
AU - Batsanov, Andrei S.
AU - Bryce, Martin R.
AU - Monkman, Andrew P.
PY - 2017/8/3
Y1 - 2017/8/3
N2 - This study reports two novel D–A–D molecules, 2,7-bis(phenothiazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide (DPT-TXO2) and 2,7-bis(1-methylphenothiazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide (DMePT-TXO2), where the latter differs by only a methyl group incorporated on each of the donor units. DMePT-TXO2 in solution and in solid state shows dual charge-transfer (CT) emission. The CT states come from two distinctive conformations between the D and A units. Experiments show that the emission contribution of each state can be controlled by the polarity of the environment and by the excitation energy. Also, how the different conformers can be used to control the TADF mechanism is analyzed in detail. These results are important as they give a more in-depth understanding about the relation between molecular conformation and the TADF mechanism, thereby facilitating the design of new TADF molecules.
AB - This study reports two novel D–A–D molecules, 2,7-bis(phenothiazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide (DPT-TXO2) and 2,7-bis(1-methylphenothiazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide (DMePT-TXO2), where the latter differs by only a methyl group incorporated on each of the donor units. DMePT-TXO2 in solution and in solid state shows dual charge-transfer (CT) emission. The CT states come from two distinctive conformations between the D and A units. Experiments show that the emission contribution of each state can be controlled by the polarity of the environment and by the excitation energy. Also, how the different conformers can be used to control the TADF mechanism is analyzed in detail. These results are important as they give a more in-depth understanding about the relation between molecular conformation and the TADF mechanism, thereby facilitating the design of new TADF molecules.
U2 - 10.1021/acs.jpcc.7b03672
DO - 10.1021/acs.jpcc.7b03672
M3 - Journal article
VL - 121
SP - 16462
EP - 16469
JO - The Journal of Physical Chemistry C
JF - The Journal of Physical Chemistry C
SN - 1932-7447
IS - 30
ER -