Year

2017

Type(s)

Journal Article

Author(s)

Huang, R. and Avó, J. and Northey, T. and Chaning-Pearce, E. and Dos Santos, P.L. and Ward, J.S. and Data, P. and Etherington, M.K. and Fox, M.A. and Penfold, T.J. and Berberan-Santos, M.N. and Lima, J.C. and Bryce, M.R. and Dias, F.B.

Source

Journal of Materials Chemistry C, 5(25): 6269—6280, 2017

Url

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85021628788&doi=10.1039%2fc7tc01958k&partnerID=40&md5=ea7ca3534fcfc42e94759ac652315f7a

BibTeX

BibTeX

BibTeX

@ARTICLE{Huang20176269, author={Huang, R. and Avó, J. and Northey, T. and Chaning-Pearce, E. and Dos Santos, P.L. and Ward, J.S. and Data, P. and Etherington, M.K. and Fox, M.A. and Penfold, T.J. and Berberan-Santos, M.N. and Lima, J.C. and Bryce, M.R. and Dias, F.B.}, title={The contributions of molecular vibrations and higher triplet levels to the intersystem crossing mechanism in metal-free organic emitters}, journal={Journal of Materials Chemistry C}, year={2017}, volume={5}, number={25}, pages={6269-6280}, doi={10.1039/c7tc01958k}, note={cited By 31}, url={https://www.scopus.com/inward/record.uri?eid=2-s2.0-85021628788&doi=10.1039%2fc7tc01958k&partnerID=40&md5=ea7ca3534fcfc42e94759ac652315f7a}, affiliation={Physics Department, Durham University, South Road, Durham, DH1 3LE, United Kingdom; REQUIMTE, Departamento de Química, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica, 2829-516, Portugal; School of Chemistry, Newcastle University, Newcastle upon Tyne, NE1 7RU, United Kingdom; Chemistry Department, Durham University, South Road, Durham, DH1 3LE, United Kingdom; Silesian University of Technology, Faculty of Chemistry, Strzody 9, Gliwice, 44-100, Poland; Centro de Química-Física Molecular, Instituto Superior Técnico, Lisboa, 1049-001, Portugal}, abstract={Dual luminescence, i.e. intense, simultaneous, room temperature phosphorescence (RTP) and thermally activated delayed fluorescence (TADF) is observed in a series of donor-acceptor-donor (D-A-D) molecules. This dual luminescence is stronger in the "angular" isomers, compared to their "linear" regioisomers, which is consistent with an enhanced intersystem crossing (ISC) in the former. Herein, we demonstrate that the small energy gap between the triplet levels, T1-Tn, below the lowest singlet state, S1, in the "angular" regioisomers, enhances the coupling between S1 and T1 states and favors ISC and reverse ISC (rISC). This is consistent with a spin-vibronic mechanism. In the absence of this "triplet ladder", due to the larger energy difference between T1 and Tn in the "linear" regioisomers, the ISC and rISC are not efficient. Remarkably, the enhancement of the ISC rate in the "angular" regioisomers is accompanied by an increase of the rate of internal conversion (IC). These results highlight the contributions of higher triplet excited states and molecular vibronic coupling to the harvest of triplet states in organic compounds, and cast the TADF and RTP mechanisms into a common conceptual framework. © 2017 The Royal Society of Chemistry.}, keywords={Fluorescence; Luminescence, Conceptual frameworks; Donor acceptor donors; Higher triplet excited state; Inter-system crossings; Internal conversions; Intersystem crossing; Room temperature phosphorescence; Thermally activated delayed fluorescences, Isomers}, funding_details={Horizon 2020Horizon 2020, 641725}, funding_details={Engineering and Physical Sciences Research CouncilEngineering and Physical Sciences Research Council, EPSRC, EP/N028511/1}, funding_details={12027/13-8}, funding_details={Durham UniversityDurham University}, funding_details={EP/L02621X/1}, funding_details={European CommissionEuropean Commission, EC}, funding_details={659288}, funding_details={Horizon 2020 Framework ProgrammeHorizon 2020 Framework Programme, H2020, 691684}, funding_text 1={R. H. acknowledges a PhD grant funded by Durham University. P. L. S. thanks the CAPES Foundation, Ministry of Education of Brazil, for a PhD studentship, Proc. 12027/13-8, Science without Borders Program and thanks to networking action funded from the European Union's Horizon 2020 research and innovation programme under grant agreement No 691684. TJP acknowledges the EPSRC, Project EP/N028511/1 for funding. P. D. thanks the EU for a Marie Curie Fellowship H2020 research and innovation programme under grant agreement No. 659288. M. K. E. acknowledges EU's Horizon 2020 for funding the PHEBE project under grant no. 641725. F. B. D. acknowledges Samsung-SAIT for funding this work using their Global Research Outreach (GRO) Program, and also the EPSRC for funding under grant number EP/L02621X/1. We thank Dr Kathryn C. Moss and Professor Igor F. Perepichka for the initial synthesis of some of the emitters.}, references={Dias, F.B., Penfold, T.J., Monkman, A.P., (2017) Methods Appl. 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Phys., 113, pp. 184-215}, correspondence_address1={Dias, F.B.; Physics Department, Durham University, South Road, United Kingdom; email: f.m.b.dias@durham.ac.uk}, publisher={Royal Society of Chemistry}, issn={20507534}, coden={JMCCC}, language={English}, abbrev_source_title={J. Mater. Chem. C}, document_type={Article}, source={Scopus},