A computational study of the methanolysis of palladium-acyl bonds

S. M A Donald; Stuart A. Macgregor; Volker Settels; David J. Cole-Hamilton; Graham R. Eastham

doi:10.1039/b617125g

A computational study of the methanolysis of palladium-acyl bonds

S. M A Donald, Stuart A. Macgregor, Volker Settels, David J. Cole-Hamilton, Graham R. Eastham

School of Engineering & Physical Sciences

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

41 Citations (Scopus)

Abstract

Density functional calculations suggest that intermolecular attack of methanol may be important in the methanolysis of simple Pd-acyl systems and that the energetics of this process are strongly dependent on the metal coordination environment. © The Royal Society of Chemistry.

Original language	English
Pages (from-to)	562-564
Number of pages	3
Journal	Chemical Communications
Issue number	6
DOIs	https://doi.org/10.1039/b617125g
Publication status	Published - 2007

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title = "A computational study of the methanolysis of palladium-acyl bonds",

abstract = "Density functional calculations suggest that intermolecular attack of methanol may be important in the methanolysis of simple Pd-acyl systems and that the energetics of this process are strongly dependent on the metal coordination environment. {\textcopyright} The Royal Society of Chemistry.",

author = "Donald, {S. M A} and Macgregor, {Stuart A.} and Volker Settels and Cole-Hamilton, {David J.} and Eastham, {Graham R.}",

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journal = "Chemical Communications",

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AU - Macgregor, Stuart A.

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AU - Cole-Hamilton, David J.

AU - Eastham, Graham R.

PY - 2007

Y1 - 2007

N2 - Density functional calculations suggest that intermolecular attack of methanol may be important in the methanolysis of simple Pd-acyl systems and that the energetics of this process are strongly dependent on the metal coordination environment. © The Royal Society of Chemistry.

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DO - 10.1039/b617125g

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SN - 1359-7345

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JO - Chemical Communications

JF - Chemical Communications

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A computational study of the methanolysis of palladium-acyl bonds

Abstract

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