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Topological Dynamics in Supramolecular Rotors
Technishe Universität München, Germany.
Linköping University, Department of Physics, Chemistry and Biology, Computational Physics. Linköping University, The Institute of Technology.
Albert-Ludwigs-Universität, Freiburg, Germany.
Technishe Universität München, Germany.
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2014 (English)In: Nano letters (Print), ISSN 1530-6984, E-ISSN 1530-6992, Vol. 14, no 8, 4461-4468 p.Article in journal (Refereed) Published
Abstract [en]

Artificial molecular switches, rotors, and machines are set to establish design rules and applications beyond their biological counterparts. Herein we exemplify the role of noncovalent interactions and transient rearrangements in the complex behavior of supramolecular rotors caged in a 2D metal–organic coordination network. Combined scanning tunneling microscopy experiments and molecular dynamics modeling of a supramolecular rotor with respective rotation rates matching with 0.2 kcal mol–1 (9 meV) precision, identify key steps in collective rotation events and reconfigurations. We notably reveal that stereoisomerization of the chiral trimeric units entails topological isomerization whereas rotation occurs in a topology conserving, two-step asynchronous process. In supramolecular constructs, distinct displacements of subunits occur inducing a markedly lower rotation barrier as compared to synchronous mechanisms of rigid rotors. Moreover, the chemical environment can be instructed to control the system dynamics. Our observations allow for a definition of mechanical cooperativity based on a significant reduction of free energy barriers in supramolecules compared to rigid molecules.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2014. Vol. 14, no 8, 4461-4468 p.
National Category
Physical Chemistry Condensed Matter Physics
URN: urn:nbn:se:liu:diva-109114DOI: 10.1021/nl5014162ISI: 000340446200039PubMedID: 25078022OAI: diva2:736901
Available from: 2014-08-11 Created: 2014-08-11 Last updated: 2014-09-23

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Björk, Jonas
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