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Excited-State Aromaticity Improves Molecular Motors: A Computational Analysis
Linköping University, Department of Physics, Chemistry and Biology, Bioinformatics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Bioinformatics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Bioinformatics. Linköping University, Faculty of Science & Engineering.
2017 (English)In: Organic Letters, ISSN 1523-7060, E-ISSN 1523-7052, Vol. 19, no 18, p. 4818-4821Article in journal (Refereed) Published
Abstract [en]

A new approach to the design of more efficient light-driven rotary molecular motors is presented and evaluated computationally based on molecular dynamics simulations. The approach involves enabling part of the motor to become aromatic in the photoactive excited state, and is found to sharply increase the rotary quantum yields of the photoisomerizations that underlie the motor function. Excited-state aromaticity thus holds promise as a guiding principle toward better-performing molecular motors.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2017. Vol. 19, no 18, p. 4818-4821
National Category
Organic Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-141935DOI: 10.1021/acs.orglett.7b02257ISI: 000411304300029PubMedID: 28841021OAI: oai:DiVA.org:liu-141935DiVA, id: diva2:1149175
Note

Funding Agencies|Swedish Research Council [621-2011-4353]; Olle Engkvist Foundation [2014/734]; Carl Trygger Foundation [CTS 15:134]; Linkoping University; National Supercomputer Centre (NSC) in Linkoping

Available from: 2017-10-13 Created: 2017-10-13 Last updated: 2017-10-31

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