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A Proof-of-Principl...
A Proof-of-Principle Design for Through-Space Transmission of Unidirectional Rotary Motion by Molecular Photogears
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- Arpa Gonzalez, Enrique Manuel (författare)
- Linköpings universitet,Bioinformatik,Tekniska fakulteten
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- Stafström, Sven (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
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- Durbeej, Bo (författare)
- Linköpings universitet,Bioinformatik,Tekniska fakulteten
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(creator_code:org_t)
- 2023
- 2023
- Engelska.
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Ingår i: Chemistry - A European Journal. - : WILEY-V C H VERLAG GMBH. - 0947-6539 .- 1521-3765.
- Relaterad länk:
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https://urn.kb.se/re...
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visa fler...
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https://doi.org/10.1...
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visa färre...
Abstract
Ämnesord
Stäng
- The construction of molecular photogears that can achieve through-space transmission of the unidirectional double-bond rotary motion of light-driven molecular motors onto a remote single-bond axis is a formidable challenge in the field of artificial molecular machines. Here, we present a proof-of-principle design of such photogears that is based on the possibility of using stereogenic substituents to control both the relative stabilities of two helical forms of the photogear and the double-bond photoisomerization reaction that connects them. The potential of the design was verified by quantum-chemical modeling through which photogearing was found to be a favorable process compared to free-standing single-bond rotation ("slippage"). Overall, our study unveils a surprisingly simple approach to realizing unidirectional photogearing. A stereochemical approach to transmitting the directional double-bond rotary motion of light-driven molecular motors through space onto a remote single-bond axis is put forth and successfully tested by means of quantum-chemical modeling. A key result in the assessment of the approach is that the desired photogearing process is favorable compared to the undesired, free-standing single-bond rotation process ("slippage") with which it competes.**image
Ämnesord
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Nyckelord
- density functional calculations; isomerization; molecular devices; molecular gears; photochemistry
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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