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
Chemical Physics Letters – Elsevier
Published: Mar 1, 2018
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