Issue 6, 2007
From the journal:

Chemical Communications

A computational study of the methanolysis of palladium–acyl bonds†

Steven M. A. Donald,a   Stuart A. Macgregor,*a   Volker Settels,a   David J. Cole-Hamiltonb  and  Graham R. Easthamc  

* Corresponding authors

a School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, UK
E-mail: s.a.macgregor@hw.ac.uk

b School of Chemistry, University of St. Andrews, Fife, UK
E-mail: djc@st-and.ac.uk

c Lucite International, Technology Centre, PO Box 90, Wilton, Middlesborough, Cleveland, UK
E-mail: graham.eastham@lucite.com

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.

Graphical abstract: A computational study of the methanolysis of palladium–acyl bonds

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Article information

DOI
https://doi.org/10.1039/B617125G
Article type
Communication
Submitted
23 Nov 2006
Accepted
20 Dec 2006
First published
11 Jan 2007

Chem. Commun., 2007, 562-564

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A computational study of the methanolysis of palladium–acyl bonds

S. M. A. Donald, S. A. Macgregor, V. Settels, D. J. Cole-Hamilton and G. R. Eastham, Chem. Commun., 2007, 562 DOI: 10.1039/B617125G

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