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A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines

A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines
A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines
A molecular mechanics force field has been developed which accurately reproduces experimental solid state structures and conformer interconversion barriers for a series of sterically congested diaryl and triaryl phosphines and some of their chalcogenide and Cr(CO)(5) derivatives.
transition-metal-complexes, homogeneous catalysis, phosphorus ligands, aqueous-media, phosphines, chemistry, binding, model, cr(co)5
1477-9226
5464-5475
Fey, Natalie
2888311d-048c-4a2f-aaa1-4c8e558c61b5
Howell, James A.S.
e97cfdc6-1be0-477d-bca2-df1063868b7f
Lovatt, Jonathan D.
86618ff5-439d-46b4-b415-1b3802c85058
Yates, Paul C.
ecead2fa-7ed2-4144-87a1-2985c6eac7aa
Cunningham, Desmond
5a9eb398-4c72-4e75-9bc6-df6f37dac293
McArdle, Patrick
3a99f8b0-2503-464c-97eb-3ee04da22411
Gottlieb, Hugo E.
bd74cee1-4e77-45af-8a46-76f049f8481c
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Fey, Natalie
2888311d-048c-4a2f-aaa1-4c8e558c61b5
Howell, James A.S.
e97cfdc6-1be0-477d-bca2-df1063868b7f
Lovatt, Jonathan D.
86618ff5-439d-46b4-b415-1b3802c85058
Yates, Paul C.
ecead2fa-7ed2-4144-87a1-2985c6eac7aa
Cunningham, Desmond
5a9eb398-4c72-4e75-9bc6-df6f37dac293
McArdle, Patrick
3a99f8b0-2503-464c-97eb-3ee04da22411
Gottlieb, Hugo E.
bd74cee1-4e77-45af-8a46-76f049f8481c
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8

Fey, Natalie, Howell, James A.S., Lovatt, Jonathan D., Yates, Paul C., Cunningham, Desmond, McArdle, Patrick, Gottlieb, Hugo E. and Coles, Simon J. (2006) A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines. Dalton Transactions, (46), 5464-5475. (doi:10.1039/b610123b).

Record type: Article

Abstract

A molecular mechanics force field has been developed which accurately reproduces experimental solid state structures and conformer interconversion barriers for a series of sterically congested diaryl and triaryl phosphines and some of their chalcogenide and Cr(CO)(5) derivatives.

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More information

Published date: 2006
Keywords: transition-metal-complexes, homogeneous catalysis, phosphorus ligands, aqueous-media, phosphines, chemistry, binding, model, cr(co)5

Identifiers

Local EPrints ID: 44437
URI: http://eprints.soton.ac.uk/id/eprint/44437
ISSN: 1477-9226
PURE UUID: 117efa91-d2f9-43f4-b2c8-1f8e94df9374
ORCID for Simon J. Coles: ORCID iD orcid.org/0000-0001-8414-9272

Catalogue record

Date deposited: 01 Mar 2007
Last modified: 20 Jul 2019 01:09

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Contributors

Author: Natalie Fey
Author: James A.S. Howell
Author: Jonathan D. Lovatt
Author: Paul C. Yates
Author: Desmond Cunningham
Author: Patrick McArdle
Author: Hugo E. Gottlieb
Author: Simon J. Coles ORCID iD

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