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Toward Fast and Efficient Visible-Light-Driven Molecular Motors: A Minimal Design
Linköping University, Department of Physics, Chemistry and Biology, Bioinformatics. Linköping University, Faculty of Science & Engineering. (Theoretical Chemistry)
Linköping University, Department of Physics, Chemistry and Biology, Bioinformatics. Linköping University, Faculty of Science & Engineering. (Theoretical Chemistry)
2018 (English)In: ChemistryOpen, ISSN 2191-1363, Vol. 7, no 8, p. 583-589Article in journal (Refereed) Published
Abstract [en]

A key goal in the development of light-driven rotary molecular motors is to facilitate their usage in biology and medicine by shifting the required irradiation wavelengths from the UV regime to the nondestructive visible regime. Although some progress has been made toward this goal, most available visible-light-driven motors either have relatively low quantum yields or require that thermal steps follow the photoisomerizations that underlie the rotary motion. Here, a minimal design for visible-light-driven motors without these drawbacks is presented and evaluated on the basis of state-of-the-art quantum chemical calculations and molecular dynamics simulations. The design, featuring dihydropyridinium and cyclohexenylidene motifs and comprising only five conjugated double bonds, is found to produce a full 360° rotation through fast photoisomerizations (excited-state lifetimes of ≈ 170-250 fs) powered by photons with energies well below 3 eV. 

Place, publisher, year, edition, pages
Weinheim, Germany: Wiley-VCH Verlagsgesellschaft, 2018. Vol. 7, no 8, p. 583-589
Keywords [en]
isomerization, molecular devices, molecular dynamics, quantum chemistry, visible light
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:liu:diva-149914DOI: 10.1002/open.201800089PubMedID: 30083493OAI: oai:DiVA.org:liu-149914DiVA, id: diva2:1236673
Funder
Swedish Research Council, 621-2011-4353Stiftelsen Olle Engkvist Byggmästare, 2014/734 and 184-568Carl Tryggers foundation , CTS 15:134Linköpings universitet
Note

Funding agencies: Swedish Research Council [621-2011-4353]; Olle Engkvist Foundation [2014/734, 184-568]; Carl Trygger Foundation [CTS 15:134]; Linkoping University

Available from: 2018-08-03 Created: 2018-08-03 Last updated: 2018-09-13

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