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. 2016 Nov 30;7:13680. doi: 10.1038/ncomms13680

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Copyright © 2016, The Author(s)

This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/

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(a) The donor–acceptor–donor X-ray structure of DPTZ-DPTO2, (2,8-di(10H-phenothiazin-10-yl)dibenzo[b,d]thiophene 5,5-dioxide). (b) The proposed model for the TADF mechanisms in DPTZ-DPTO2, which considers the ISC between ¹CT and ³LE based on the inhibited intra CT states ISC and rISC. VC represents the vibronic coupling between states. Type I is a system of high rigidity/low polarity so that ³LE is below ¹CT and Type III is a system of low rigidity/ high polarity where ³LE is above ¹CT, such that in both cases ³LE is off-resonance from the CT states. Type II represents the ideal case and the most efficient TADF system where molecular structure and polarity and rigidity controlled energetics are such that ³LE is on-resonance with the CT state, giving high efficiency rISC and hence TADF.