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Repulsive interaction can be a key design element of molecular rotary motors

Academic Article
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Overview

authors

  • Ben Shir, I.
  • Sasmal, S.
  • Mejuch, T.
  • Sinha, M. K.
  • Kapon, M.
  • Keinan, Ehud

publication date

  • November 2008

journal

  • Journal of Organic Chemistry  Journal

abstract

  • Low-barrier molecular rotary motors having rotaxane architecture can be constructed using a cucurbituril host and a polyyne guest serving as stator and rotator, respectively. The repulsive interaction between these components is supported by molecular mechanics calculations with model systems and experimentally verified by X-ray crystallography with several synthetic host-guest complexes, all suggesting that the diyne rod floats at the center of the macrocyclic host with no apparent van der Waals contacts between them. Further support for these interactions is suggested by microcalorimetry measurements.

subject areas

  • Bridged Compounds
  • Calorimetry
  • Crystallography, X-Ray
  • Imidazoles
  • Polyacetylenes
  • Rotaxanes
  • Thermodynamics
  • Titrimetry
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Identity

International Standard Serial Number (ISSN)

  • 0022-3263

Digital Object Identifier (DOI)

  • 10.1021/jo801350b

PubMed ID

  • 18954116
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Additional Document Info

start page

  • 8772

end page

  • 8779

volume

  • 73

issue

  • 22

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