A computational study of the methanolysis of palladium-acyl bonds

Steven 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

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

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

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.

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

Keywords

CARBON-MONOXIDE
ALTERNATING COPOLYMERIZATION
COMPLEXES RELEVANT
METHYL PROPANOATE
ETHENE
METHOXYCARBONYLATION

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10.1039/b617125g

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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.",

keywords = "CARBON-MONOXIDE, ALTERNATING COPOLYMERIZATION, COMPLEXES RELEVANT, METHYL PROPANOATE, ETHENE, METHOXYCARBONYLATION",

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

year = "2007",

doi = "10.1039/b617125g",

language = "English",

pages = "562--564",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

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AU - Donald, Steven M. A.

AU - Macgregor, Stuart A.

AU - Settels, Volker

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.

AB - 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.

KW - CARBON-MONOXIDE

KW - ALTERNATING COPOLYMERIZATION

KW - COMPLEXES RELEVANT

KW - METHYL PROPANOATE

KW - ETHENE

KW - METHOXYCARBONYLATION

UR - http://www.scopus.com/inward/record.url?scp=33846781123&partnerID=8YFLogxK

U2 - 10.1039/b617125g

DO - 10.1039/b617125g

M3 - Article

SN - 1359-7345

SP - 562

EP - 564

JO - Chemical Communications

JF - Chemical Communications

IS - 6

ER -

A computational study of the methanolysis of palladium-acyl bonds

Abstract

Keywords

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