Regulating Singlet–Triplet Energy Gaps through Substituent-Driven Modulation of the Exchange and Coulomb Interactions

Peterson, Erin J.; Rawson, Jeff; Beratan, David N.; Zhang, Peng; Therien, Michael J.

doi:10.1021/jacs.2c06713

Regulating Singlet–Triplet Energy Gaps through Substituent-Driven Modulation of the Exchange and Coulomb Interactions

Journal Article · 22 August 2022 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.2c06713· OSTI ID:1978500

Peterson, Erin J. ^[1]; ^[2]; Beratan, David N. ^[2]; Zhang, Peng ^[2]; Therien, Michael J. ^[2]

Department of Chemistry, French Family Science Center, Duke University, 124 Science Drive, Durham, North Carolina 27708-0346, United States; OSTI
Department of Chemistry, French Family Science Center, Duke University, 124 Science Drive, Durham, North Carolina 27708-0346, United States

Not provided.

Research Organization:: Duke Univ., Durham, NC (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0001517

OSTI ID:: 1978500

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 34 Vol. 144; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

References (20)

Ultrafast Dynamics of Highly Conjugated Porphyrin Arrays Kumble, Ranjit; Palese, Steven; Lin, Victor S. -Y. Journal of the American Chemical Society, Vol. 120, Issue 44 https://doi.org/10.1021/ja981811u	journal	November 1998
Direct measurement of electronic dephasing using anisotropy Galli, C.; Wynne, Klaas; LeCours, Steven M. Chemical Physics Letters, Vol. 206, Issue 5-6 https://doi.org/10.1016/0009-2614(93)80174-N	journal	May 1993
Orbital Control of the Color and Excited State Properties of Formylated and Fluorinated Derivatives of Azulene Shevyakov, Sergey V.; Li, Hongru; Muthyala, Rajeev The Journal of Physical Chemistry A, Vol. 107, Issue 18 https://doi.org/10.1021/jp021605f	journal	April 2003
Recent advances in organic thermally activated delayed fluorescence materials Yang, Zhiyong; Mao, Zhu; Xie, Zongliang Chemical Society Reviews, Vol. 46, Issue 3 https://doi.org/10.1039/C6CS00368K	journal	January 2017
Highly efficient organic light-emitting diodes from delayed fluorescence Uoyama, Hiroki; Goushi, Kenichi; Shizu, Katsuyuki Nature, Vol. 492, Issue 7428 https://doi.org/10.1038/nature11687	journal	December 2012
EPR of Photoexcited Triplet-State Acceptor Porphyrins Redman, Ashley J.; Moise, Gabriel; Richert, Sabine The Journal of Physical Chemistry C, Vol. 125, Issue 21 https://doi.org/10.1021/acs.jpcc.1c03278	journal	May 2021
Optical Spectra and Electronic Structure of Porphyrins and Related Rings Gouterman, Martin The Porphyrins https://doi.org/10.1016/B978-0-12-220103-5.50008-8	book	January 1978
Synthesis and Exciton Dynamics of Donor-Orthogonal Acceptor Conjugated Polymers: Reducing the Singlet–Triplet Energy Gap Freeman, David M. E.; Musser, Andrew J.; Frost, Jarvist M. Journal of the American Chemical Society, Vol. 139, Issue 32 https://doi.org/10.1021/jacs.7b03327	journal	June 2017
Porphyrin-Quinone Electron Transfer Revisited. The Role of Excited-State Degeneracy in Ultrafast Charge Transfer Reactions Wynne, Klaas; LeCours, Steven M.; Galli, C. Journal of the American Chemical Society, Vol. 117, Issue 13 https://doi.org/10.1021/ja00118a011	journal	April 1995
Facile Synthesis of meso-Tetrakis(perfluoroalkyl)porphyrins: Spectroscopic Properties and X-ray Crystal Structure of Highly Electron-Deficient 5,10,15,20-Tetrakis(heptafluoropropyl)porphyrin DiMagno, Stephen G.; Williams, R. Allen; Therien, Michael J. The Journal of Organic Chemistry, Vol. 59, Issue 23 https://doi.org/10.1021/jo00102a017	journal	November 1994
The energy gap law for radiationless transitions in large molecules Englman, Robert; Jortner, Joshua Molecular Physics, Vol. 18, Issue 2 https://doi.org/10.1080/00268977000100171	journal	February 1970
1,4,7-Triazacycl[3.3.3]azine: basicity, photoelectron spectrum, photophysical properties Leupin, Werner.; Magde, Douglas.; Persy, Gabriele. Journal of the American Chemical Society, Vol. 108, Issue 1 https://doi.org/10.1021/ja00261a004	journal	January 1986
Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules Pershin, Anton; Hall, David; Lemaur, Vincent Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08495-5	journal	February 2019
Towards an understanding of the singlet–triplet splittings in conjugated hydrocarbons: azulene investigated by anion photoelectron spectroscopy and theoretical calculations Vosskötter, Stefan; Konieczny, Paul; Marian, Christel M. Physical Chemistry Chemical Physics, Vol. 17, Issue 36 https://doi.org/10.1039/C5CP01826A	journal	January 2015
Dependence of the closed-shell repulsive interaction on the overlap of the electron densities Kim, Yung Sik; Kim, Seong Keun; Lee, Won Don Chemical Physics Letters, Vol. 80, Issue 3 https://doi.org/10.1016/0009-2614(81)85080-4	journal	June 1981
Thermally Activated Delayed Photoluminescence: Deterministic Control of Excited-State Decay Yonemoto, Daniel T.; Papa, Christopher M.; Mongin, Cedric Journal of the American Chemical Society, Vol. 142, Issue 25 https://doi.org/10.1021/jacs.0c03331	journal	June 2020
Synthesis, Structure, Electronic Spectroscopy, Photophysics, Electrochemistry, and X-ray Photoelectron Spectroscopy of Highly-Electron-Deficient [5,10,15,20-Tetrakis(perfluoroalkyl)porphinato]zinc(II) Complexes and Their Free Base Derivatives Goll, James G.; Moore, Kevin T.; Ghosh, Abhik Journal of the American Chemical Society, Vol. 118, Issue 35 https://doi.org/10.1021/ja9610904	journal	January 1996
Decoupling Optical and Potentiometric Band Gaps in π-Conjugated Materials Susumu, Kimihiro; Therien, Michael J. Journal of the American Chemical Society, Vol. 124, Issue 29 https://doi.org/10.1021/ja0203925	journal	July 2002
A survey of Hammett substituent constants and resonance and field parameters Hansch, Corwin.; Leo, A.; Taft, R. W. Chemical Reviews, Vol. 91, Issue 2 https://doi.org/10.1021/cr00002a004	journal	March 1991
Understanding the Control of Singlet-Triplet Splitting for Organic Exciton Manipulating: A Combined Theoretical and Experimental Approach Chen, Ting; Zheng, Lei; Yuan, Jie Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep10923	journal	July 2015

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