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Article: Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane

TitleUnravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane
Authors
Raiteri, PaoloBussi, GiovanniCucinotta, Clotilde S.Credi, AlbertoStoddart, J. FraserParrinello, Michele
KeywordsComputer chemistry
Kinetics
Molecular devices
Molecular dynamics
Rotaxanes
Issue Date2008
Citation
Angewandte Chemie - International Edition, 2008, v. 47, n. 19, p. 3536-3539 How to Cite?
DOI: http://dx.doi.org/10.1002/anie.200705207
AbstractOn the move: A computational investigation of the photo-triggered shuttling of a multicomponent bistable rotaxane in solution has shown that decomplexation of the counterions from the positively charged stations may be the efficiency-limiting step of the nanomachine. The picture shows the free-energy profile as a function of the ring position for the oxidized (ground) state (blue) and the reduced state (red) generated by photoexcitation. (Figure Presented). © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.
Persistent Identifierhttp://hdl.handle.net/10722/332849
ISSN
1433-7851
2021 Impact Factor: 16.823
2020 SCImago Journal Rankings: 5.831
ISI Accession Number ID
WOS:000255530100009

 

DC FieldValueLanguage
dc.contributor.authorRaiteri, Paolo-
dc.contributor.authorBussi, Giovanni-
dc.contributor.authorCucinotta, Clotilde S.-
dc.contributor.authorCredi, Alberto-
dc.contributor.authorStoddart, J. Fraser-
dc.contributor.authorParrinello, Michele-
dc.date.accessioned2023-10-06T05:14:45Z-
dc.date.available2023-10-06T05:14:45Z-
dc.date.issued2008-
dc.identifier.citationAngewandte Chemie - International Edition, 2008, v. 47, n. 19, p. 3536-3539-
dc.identifier.issn1433-7851-
dc.identifier.urihttp://hdl.handle.net/10722/332849-
dc.description.abstractOn the move: A computational investigation of the photo-triggered shuttling of a multicomponent bistable rotaxane in solution has shown that decomplexation of the counterions from the positively charged stations may be the efficiency-limiting step of the nanomachine. The picture shows the free-energy profile as a function of the ring position for the oxidized (ground) state (blue) and the reduced state (red) generated by photoexcitation. (Figure Presented). © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.-
dc.languageeng-
dc.relation.ispartofAngewandte Chemie - International Edition-
dc.subjectComputer chemistry-
dc.subjectKinetics-
dc.subjectMolecular devices-
dc.subjectMolecular dynamics-
dc.subjectRotaxanes-
dc.titleUnravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1002/anie.200705207-
dc.identifier.scopuseid_2-s2.0-50149121833-
dc.identifier.volume47-
dc.identifier.issue19-
dc.identifier.spage3536-
dc.identifier.epage3539-
dc.identifier.isiWOS:000255530100009-

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