Work

Surface hopping simulations reveal deactivation pathways of a charge transfer system with planarizing and twisting motion

Year: 2025

Type: article

Abstract: Nonadiabatic surface hopping simulations are used to investigate the relaxation pathways after photoexcitation of 4-(indol-1-ylamino)benzonitrile, a prototypical example of PLATICT systems and its potential application as a molecular motor.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/d5cp00889a

Authors: Julia Haberhauer, Sebastian Mai, Leticia González, Christof Hättig

Institutions: Ruhr University Bochum, University of Vienna

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Funders: Deutsche Forschungsgemeinschaft, Universität Wien, Ruhr-Universität Bochum

Awards: EXC 2033: RESOLV (Ruhr Explores Solvation), G199205490, G274347230, G6374515084, G649001848