A spin exchange model for singlet fission

A spin exchange model for singlet fission Chemical Physics Letters 695 (2018) 240–244 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper A spin exchange model for singlet fission Tomoaki Yago , Masanobu Wakasa Department of Chemistry, Graduate School of Science and Engineering, Saitama University, 255 Shimo-ohkubo, Sakura-ku, Saitama 338-8570, Japan ar ti c l e i nf o ab stra ct Article history: Singlet fission has been analyzed with the Dexter model in which electron exchange occurs between Received 25 September 2017 chromophores, conserving the spin for each electron. In the present study, we propose a spin exchange In final form 8 February 2018 model for singlet fission. In the spin exchange model, spins are exchanged by the exchange interaction Available online 9 February 2018 between two electrons. Our analysis with simple spin functions demonstrates that singlet fission is possible by spin exchange. A necessary condition for spin exchange is a variation in exchange interac- tions. We also adapt the spin exchange model to triplet fusion and triplet energy transfer, which often occur after singlet fission in organic solids. 2018 Elsevier B.V. All rights reserved. 1. Introduction charge transfer state mixes into the initial state. The matrix ele- ment for the http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemical Physics Letters Elsevier

A spin exchange model for singlet fission

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
0009-2614
eISSN
1873-4448
D.O.I.
10.1016/j.cplett.2018.02.025
Publisher site
See Article on Publisher Site

Abstract

Chemical Physics Letters 695 (2018) 240–244 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper A spin exchange model for singlet fission Tomoaki Yago , Masanobu Wakasa Department of Chemistry, Graduate School of Science and Engineering, Saitama University, 255 Shimo-ohkubo, Sakura-ku, Saitama 338-8570, Japan ar ti c l e i nf o ab stra ct Article history: Singlet fission has been analyzed with the Dexter model in which electron exchange occurs between Received 25 September 2017 chromophores, conserving the spin for each electron. In the present study, we propose a spin exchange In final form 8 February 2018 model for singlet fission. In the spin exchange model, spins are exchanged by the exchange interaction Available online 9 February 2018 between two electrons. Our analysis with simple spin functions demonstrates that singlet fission is possible by spin exchange. A necessary condition for spin exchange is a variation in exchange interac- tions. We also adapt the spin exchange model to triplet fusion and triplet energy transfer, which often occur after singlet fission in organic solids. 2018 Elsevier B.V. All rights reserved. 1. Introduction charge transfer state mixes into the initial state. The matrix ele- ment for the

Journal

Chemical Physics LettersElsevier

Published: Mar 1, 2018

References

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