Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane
| dc.contributor.author | Raiteri, Paolo | |
| dc.contributor.author | Bussi, G. | |
| dc.contributor.author | Cucinotta, C. | |
| dc.contributor.author | Credi, A. | |
| dc.contributor.author | Stoddart, J. | |
| dc.contributor.author | Parrinello, M. | |
| dc.date.accessioned | 2017-01-30T10:51:03Z | |
| dc.date.available | 2017-01-30T10:51:03Z | |
| dc.date.created | 2014-09-09T20:01:04Z | |
| dc.date.issued | 2008 | |
| dc.identifier.citation | Raiteri, P. and Bussi, G. and Cucinotta, C. and Credi, A. and Stoddart, J. and Parrinello, M. 2008. Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane. Angewandte Chemie-International Edition. 47 (19): pp. 3536-3539. | |
| dc.identifier.uri | http://hdl.handle.net/20.500.11937/6147 | |
| dc.identifier.doi | 10.1002/anie.200705207 | |
| 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. | |
| dc.publisher | Wiley-VCH Verlag GMBH | |
| dc.subject | rotaxanes | |
| dc.subject | molecular devices | |
| dc.subject | molecular dynamics | |
| dc.subject | computer chemistry | |
| dc.subject | kinetics | |
| dc.title | Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane | |
| dc.type | Journal Article | |
| dcterms.source.volume | 47 | |
| dcterms.source.startPage | 3536 | |
| dcterms.source.endPage | 3539 | |
| dcterms.source.issn | 14337851 | |
| dcterms.source.title | Angewandte Chemie-International Edition | |
| curtin.note |
This is the accepted version of the following article: Raiteri, P. and Bussi, G. and Cucinotta, C. and Credi, A. and Stoddart, J. and Parrinello, M. 2008. Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane. Angewandte Chemie-International Edition. 47 (19): pp. 3536-3539, which has been published in final form at: | |
| curtin.accessStatus | Open access |