American Chemical Society
ol502466x_si_001.pdf (3.21 MB)

Two Switchable Star-Shaped [1](n)Rotaxanes with Different Multibranched Cores

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journal contribution
posted on 2014-09-19, 00:00 authored by Hong Li, Xin Li, Hans Ågren, Da-Hui Qu
Two novel star-shaped [1]­(n)­rotaxanes with three and four identical [1]­rotaxane arms but different multibranched cores were designed, synthesized, and well-characterized. In the two systems, external base−acid stimuli result in the uniform relative mechanical movement of the macrocyclic rings and threads of their [1]­rotaxane arms. The energy-minimized structures of the two rotaxanes in different states were obtained using molecular dynamics simulations in acetone solution, suggesting the construction of more sophisticated molecular machines mimicking the extension and contraction motions.