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- Publisher Website: 10.1002/anie.200705207
- Scopus: eid_2-s2.0-50149121833
- WOS: WOS:000255530100009
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Article: Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane
Title | Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane |
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Authors | |
Keywords | Computer chemistry Kinetics Molecular devices Molecular dynamics Rotaxanes |
Issue Date | 2008 |
Citation | Angewandte Chemie - International Edition, 2008, v. 47, n. 19, p. 3536-3539 How to Cite? |
Abstract | On 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 Identifier | http://hdl.handle.net/10722/332849 |
ISSN | 2023 Impact Factor: 16.1 2023 SCImago Journal Rankings: 5.300 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Raiteri, Paolo | - |
dc.contributor.author | Bussi, Giovanni | - |
dc.contributor.author | Cucinotta, Clotilde S. | - |
dc.contributor.author | Credi, Alberto | - |
dc.contributor.author | Stoddart, J. Fraser | - |
dc.contributor.author | Parrinello, Michele | - |
dc.date.accessioned | 2023-10-06T05:14:45Z | - |
dc.date.available | 2023-10-06T05:14:45Z | - |
dc.date.issued | 2008 | - |
dc.identifier.citation | Angewandte Chemie - International Edition, 2008, v. 47, n. 19, p. 3536-3539 | - |
dc.identifier.issn | 1433-7851 | - |
dc.identifier.uri | http://hdl.handle.net/10722/332849 | - |
dc.description.abstract | On 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.language | eng | - |
dc.relation.ispartof | Angewandte Chemie - International Edition | - |
dc.subject | Computer chemistry | - |
dc.subject | Kinetics | - |
dc.subject | Molecular devices | - |
dc.subject | Molecular dynamics | - |
dc.subject | Rotaxanes | - |
dc.title | Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1002/anie.200705207 | - |
dc.identifier.scopus | eid_2-s2.0-50149121833 | - |
dc.identifier.volume | 47 | - |
dc.identifier.issue | 19 | - |
dc.identifier.spage | 3536 | - |
dc.identifier.epage | 3539 | - |
dc.identifier.isi | WOS:000255530100009 | - |