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Two Switchable Star-Shaped [1](n)Rotaxanes with Different Multibranched Cores
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0001-6508-8355
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0002-1763-9383
2014 (English)In: Organic Letters, ISSN 1523-7060, E-ISSN 1523-7052, Vol. 16, no 18, 4940-4943 p.Article in journal (Refereed) Published
Abstract [en]

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 macrocydic 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.

Place, publisher, year, edition, pages
2014. Vol. 16, no 18, 4940-4943 p.
Keyword [en]
Molecular Machines, Interlocked Molecules, Force-Field, Muscle-Like, Rotaxane, Motion, Assemblies, Catenanes, Isomerism, Progress
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-154375DOI: 10.1021/ol502466xISI: 000342117600063Scopus ID: 2-s2.0-84923845923OAI: oai:DiVA.org:kth-154375DiVA: diva2:757140
Note

QC 20141021

Available from: 2014-10-21 Created: 2014-10-20 Last updated: 2017-12-05Bibliographically approved

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Li, XinÅgren, Hans

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