Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane

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. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2008/z705207_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.