ArticleThe journal of physical chemistry letters2021
Quantum-Classical Simulation of Molecular Motors Driven Only by Light.
Article in The journal of physical chemistry letters, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Perspective on Theoretical Modeling of Soft Molecular Machines and Devices: A Fusion of Data-Driven Approaches with Traditional Computational Chemistry Algorithms.ChemistryOpen · 2025Article
- Martini 3 Coarse-Grained Model for Second-Generation Unidirectional Molecular Motors and Switches.Journal of chemical theory and computation · 2023Article
- Effect of Temperature on Photoisomerization Dynamics of a Newly Designed Two-Stroke Light-Driven Molecular Rotary Motor.International journal of molecular sciences · 2022Article
- Design and Nonadiabatic Photoisomerization Dynamics Study of a Three-Stroke Light-Driven Molecular Rotary Motor.International journal of molecular sciences · 2022Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Molecular motors that exhibit controlled unidirectional rotation provide great prospects for many types of applications, including nanorobotics. Existing rotational motors have two key components: photoisomerization around a π-bond followed by a thermally activated helical inversion, the latter being the rate-determining step. We propose an alternative molecular system in which the rotation is caused by the electric coupling of chromophores. This is used to engineer the excited state energy surface and achieve unidirectional rotation using light as the only input and avoid the slow thermally activated step, potentially leading to much faster operational speeds. To test the working principle, we employ quantum-classical calculations to study the dynamics of such a system. We estimate that motors built on this principle should be able to work on a subnanosecond time scale for such a full rotation. We explore the parameter space of our model to guide the design of a molecule that can act as such a motor.
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Registered trials
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