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MO: Fachverband Molekülphysik

MO 14: Polaritonic Effects in Molecular Systems II (joint session MO/Q)

MO 14.8: Vortrag

Mittwoch, 12. März 2025, 12:45–13:00, HS XV

Role of Symmetry in Charge Transfer Complexation under Vibrational Strong Coupling — •Anjali Jayachandran, Cyriaque Genet, and Thomas Ebbesen — University of Strasbourg, CNRS, ISIS and icFRC, 8 Allée Gaspard Monge, 67000 Strasbourg, France

The relation between symmetry and chemical reactivity has been explored for a long time. We reported earlier that symmetry also plays a key role in charge transfer (CT) complexation reactions under vibrational strong coupling (VSC) (1). We have now extended this study to a variety of donors and acceptors to gain further insight into how symmetry is acting on VSC. The experiments were conducted using the three isomers of trimethylbenzene (methyl groups in the 1,3,5; 1,2,4 and 1,2,3 positions on the benzene ring) as the donors with acceptors such as iodine, chloranil and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone. It is observed that under vibrational strong coupling, there are large changes in the equilibrium constant, coefficient of absorption and the thermodynamic parameters for the different isomers. The changes seen in these parameters are dependent on the symmetry of the vibrational mode that is coupled to the IR cavity modes as well as the overall symmetry of the molecule. The result of this study confirms the relevance of symmetry in chemical reactivity under VSC and should be taken into consideration to steer reactions towards a desired outcome in this regime. 1. Y. Pang, A. Thomas, K. Nagarajan, R. M. A. Vergauwe, K. Joseph, B. Patrahau, K. Wang, C. Genet, T. W. Ebbesen, Angew. Chem. Int. Ed. 2020, 59, 10436.

Keywords: Symmetry; Vibrational Strong Coupling; Charge Transfer Complex; Chemical reactivity; Equilibrium constant