Classical versus bridged allyl ligands in magnesium complexes: The role of solvent

Stephen C. Chmely; Christin N. Carlson; Timothy P. Hanusa; Arnold L. Rheingold

doi:10.1021/ja900998t

Classical versus bridged allyl ligands in magnesium complexes: The role of solvent

Stephen C. Chmely, Christin N. Carlson, Timothy P. Hanusa, Arnold L. Rheingold

Agricultural & Biological Engineering

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

Abstract

Magnesium allyl complexes are regularly isolated with classical, /-bonded ligands, and this has been thought to be their preferred mode of bonding. Density funtional theory calculations confirm that such bonding is the most stable mode when coordinated bases are present, but in their absence, 1-bonded forms are expected to be lower in energy. The isolation of the unsolvated [Mg{C ₃(SiMe ₃) ₂H ₃} ₂] ₂ complex supports this prediction, as it is a dinuclear species in which two allyl ligands bridge the metals and display cation-π interactions with them.

Original language	English (US)
Pages (from-to)	6344-6345
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	131
Issue number	18
DOIs	https://doi.org/10.1021/ja900998t
State	Published - May 13 2009

All Science Journal Classification (ASJC) codes

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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AU - Carlson, Christin N.

AU - Hanusa, Timothy P.

AU - Rheingold, Arnold L.

PY - 2009/5/13

Y1 - 2009/5/13

N2 - Magnesium allyl complexes are regularly isolated with classical, /-bonded ligands, and this has been thought to be their preferred mode of bonding. Density funtional theory calculations confirm that such bonding is the most stable mode when coordinated bases are present, but in their absence, 1-bonded forms are expected to be lower in energy. The isolation of the unsolvated [Mg{C 3(SiMe 3) 2H 3} 2] 2 complex supports this prediction, as it is a dinuclear species in which two allyl ligands bridge the metals and display cation-π interactions with them.

AB - Magnesium allyl complexes are regularly isolated with classical, /-bonded ligands, and this has been thought to be their preferred mode of bonding. Density funtional theory calculations confirm that such bonding is the most stable mode when coordinated bases are present, but in their absence, 1-bonded forms are expected to be lower in energy. The isolation of the unsolvated [Mg{C 3(SiMe 3) 2H 3} 2] 2 complex supports this prediction, as it is a dinuclear species in which two allyl ligands bridge the metals and display cation-π interactions with them.

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Classical versus bridged allyl ligands in magnesium complexes: The role of solvent

Abstract

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