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

42 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

Access to Document

10.1039/b617125g

Cite this

@article{0a7c55f15af04d8d9c699c475ff3923b,

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.\}",

year = "2007",

doi = "10.1039/b617125g",

language = "English",

pages = "562--564",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "6",

}

TY - JOUR

T1 - A computational study of the methanolysis of palladium-acyl bonds

AU - Donald, S. 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. © The Royal Society of Chemistry.

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. © The Royal Society of Chemistry.

UR - https://www.scopus.com/pages/publications/33846781123

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

Access to Document

Other files and links

Fingerprint

Cite this