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Abstract
This study investigates the impact of solvent environment on the quantum efficiency of a 2-stroke photon-only molecular rotary motor using multiscale nonadiabatic molecular dynamics simulations. Results show a significant decrease in isomerization quantum efficiency in methanol solution compared to the gas phase, attributed to hydrogen bonding between the motor and solvent molecules. Analysis suggests that modifying the motor to reduce hydrogen bonding could improve quantum efficiency, providing new design rules for light-driven rotary motors.
Publisher
Communications Physics
Published On
Jul 05, 2024
Authors
Michael Filatov, Marco Paolino, Danil Kaliakin, Massimo Olivucci, Elfi Kraka, Seung Kyu Min
Tags
quantum efficiency
molecular rotary motor
nonadiabatic molecular dynamics
solvent environment
isomerization
hydrogen bonding
light-driven motors

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