Achieving one-step molecular photogearing in a minimal light-driven molecular motor

The last decades have seen a wealth of progress in the design and synthesis of molecular motors for converting light energy into directed rotary motion around a double bond. Yet, realizing the full potential of these systems in the field of artificial molecular machines will inevitably require a breakthrough in the formidable challenge to construct molecular photogears for transmitting such motion through space and onto a remote single-bond axis, without losing control of the direction of rotation. Here, we unveil a surprisingly straightfoward mechanism for achieving this goal in a single photochemical step by incorporating a propeller-shaped barrelene motif into the protonated Schiff-base skeleton of a minimal light-driven molecular motor. Corroborating the mechanism by state-of-the-art computational modeling, our study also identifies strategies for optimizing the photogearing efficiency through modulation of steric interactions. Overall, the results of this work help establish a new route for constructing molecular photogears by combining molecular-motor and propeller-shaped structures.

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Publication Details

Journal
Chemical Science
Published
2025-01-01
DOI
https://doi.org/10.1039/d5sc05065k
Primary Topic
Atomic and Subatomic Physics Research
Type
article
Field-Weighted Citation Impact
0.00

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article

Achieving one-step molecular photogearing in a minimal light-driven molecular motor

Enrique M. Arpa, Bo Durbeej
Chemical Science
Atomic and Subatomic Physics Research
article

Achieving one-step molecular photogearing in a minimal light-driven molecular motor

Enrique M. Arpa, Bo Durbeej
article en

Abstract

The last decades have seen a wealth of progress in the design and synthesis of molecular motors for converting light energy into directed rotary motion around a double bond. Yet, realizing the full potential of these systems in the field of artificial molecular machines will inevitably require a breakthrough in the formidable challenge to construct molecular photogears for transmitting such motion through space and onto a remote single-bond axis, without losing control of the direction of rotation. Here, we unveil a surprisingly straightfoward mechanism for achieving this goal in a single photochemical step by incorporating a propeller-shaped barrelene motif into the protonated Schiff-base skeleton of a minimal light-driven molecular motor. Corroborating the mechanism by state-of-the-art computational modeling, our study also identifies strategies for optimizing the photogearing efficiency through modulation of steric interactions. Overall, the results of this work help establish a new route for constructing molecular photogears by combining molecular-motor and propeller-shaped structures.

Chemical ScienceVol. 16(42)
Linköping University (SE), RWTH Aachen University (DE)
Carl Tryggers Stiftelse för Vetenskaplig Forskning, Vetenskapsrådet, National Supercomputer Centre, Linköpings Universitet
Openalex Percentile: Top 79%
Atomic and Subatomic Physics Research
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Achieving one-step molecular photogearing in a minimal light-driven molecular motor — Enrique M. Arpa, Bo Durbeej · Chemical Science (2025) | TGRS Research Map | TGRS