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并五苯二聚体中锥形交叉和单线态裂变的光学腔操纵

Optical-Cavity Manipulation of Conical Intersections and Singlet Fission in Pentacene Dimers.

作者信息

Gu Bing, Mukamel Shaul

机构信息

Department of Chemistry and Department of Physics & Astronomy, University of California, Irvine, CA 92697, United States.

出版信息

J Phys Chem Lett. 2021 Mar 4;12(8):2052-2056. doi: 10.1021/acs.jpclett.0c03829. Epub 2021 Feb 22.

Abstract

We demonstrate how the singlet fission process in pentacene dimers mediated by a conical intersection is controlled by coupling the molecule to a confined optical cavity photon mode. By following the polariton quantum dynamics of a conical intersection coupled to a cavity mode taking into account vibrational relaxation and cavity loss, we find that the singlet fission can be significantly suppressed because the polaritonic conical intersection is pushed away from the initial Franck-Condon excitation region.

摘要

我们展示了通过将并五苯二聚体中的单重态裂变过程与受限光学腔光子模式耦合,如何控制由锥形交叉介导的该过程。通过考虑振动弛豫和腔损耗,跟踪与腔模式耦合的锥形交叉的极化激元量子动力学,我们发现单重态裂变可被显著抑制,因为极化激元锥形交叉被推离了初始的弗兰克 - 康登激发区域。

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