Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane
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-energ...
| Main Authors: | , , , , , |
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| Format: | Journal Article |
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Wiley-VCH Verlag GMBH
2008
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/6147 |
| _version_ | 1848744992916373504 |
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| author | Raiteri, Paolo Bussi, G. Cucinotta, C. Credi, A. Stoddart, J. Parrinello, M. |
| author_facet | Raiteri, Paolo Bussi, G. Cucinotta, C. Credi, A. Stoddart, J. Parrinello, M. |
| author_sort | Raiteri, Paolo |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T06:10:17Z |
| format | Journal Article |
| id | curtin-20.500.11937-6147 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T06:10:17Z |
| publishDate | 2008 |
| publisher | Wiley-VCH Verlag GMBH |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-61472019-02-19T05:35:28Z Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane Raiteri, Paolo Bussi, G. Cucinotta, C. Credi, A. Stoddart, J. Parrinello, M. rotaxanes molecular devices molecular dynamics computer chemistry kinetics 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. 2008 Journal Article http://hdl.handle.net/20.500.11937/6147 10.1002/anie.200705207 Wiley-VCH Verlag GMBH fulltext |
| spellingShingle | rotaxanes molecular devices molecular dynamics computer chemistry kinetics Raiteri, Paolo Bussi, G. Cucinotta, C. Credi, A. Stoddart, J. Parrinello, M. Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane |
| title | Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane |
| title_full | Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane |
| title_fullStr | Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane |
| title_full_unstemmed | Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane |
| title_short | Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane |
| title_sort | unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane |
| topic | rotaxanes molecular devices molecular dynamics computer chemistry kinetics |
| url | http://hdl.handle.net/20.500.11937/6147 |