Circumambulatory rearrangement with characteristics of a 2:1 covalent molecular bevel gear

Rosa E. Bulo, Florian Allaart, Andreas W. Ehlers, Franciscus J.J. De Kanter, Marius Schakel, Martin Lutz, Anthony L. Spek, Koop Lammertsma

Research output: Contribution to journalArticlepeer-review

27 Citations (Scopus)


anti-W(CO)5-complexed 9-methyl-9-phosphabicyclo[6.1.0]nonatriene represents a covalently interlocked molecular bevel gear. Correlated movement of the phosphorus atom and the eight-membered ring by way of a "walk" rearrangement makes gear slippage impossible. The gearing motion is transferred to the four-toothed W(CO)5 propeller connected to the rotating phosphorus atom, enabling a gearing ratio of 2:1 according to B3LYP and Car-Parrinello Molecular Dynamics calculations. Methyl substitution of the eight-membered ring tempers the gearing process, with the PMeW(CO)5 entity passing the substituted carbon atom only at temperatures above 50 °C

Original languageEnglish
Pages (from-to)12169-12173
Number of pages5
JournalJournal of the American Chemical Society
Issue number37
Publication statusPublished - 20 Sept 2006
Externally publishedYes

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry
  • Biochemistry
  • Colloid and Surface Chemistry


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