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

doi:10.1021/ja0627895

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 journal › Article › peer-review

27 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	12169-12173
Number of pages	5
Journal	Journal of the American Chemical Society
Volume	128
Issue number	37
DOIs	https://doi.org/10.1021/ja0627895
Publication status	Published - 20 Sept 2006
Externally published	Yes

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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10.1021/ja0627895

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abstract = "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",

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T1 - Circumambulatory rearrangement with characteristics of a 2:1 covalent molecular bevel gear

AU - Bulo, Rosa E.

AU - Allaart, Florian

AU - Ehlers, Andreas W.

AU - De Kanter, Franciscus J.J.

AU - Schakel, Marius

AU - Lutz, Martin

AU - Spek, Anthony L.

AU - Lammertsma, Koop

PY - 2006/9/20

Y1 - 2006/9/20

N2 - 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

AB - 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

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

Abstract

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