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

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

doi:10.1039/b610123b

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

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

Department of Chemistry

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

20 Scopus citations

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.

Original language	English
Pages (from-to)	5464-5475
Number of pages	12
Journal	Dalton Transactions
Issue number	46
DOIs	https://doi.org/10.1039/b610123b
State	Published - 2006

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title = "A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines",

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.",

author = "Natalie Fey and Howell, \{James A.S.\} and Lovatt, \{Jonathan D.\} and Yates, \{Paul C.\} and Desmond Cunningham and Patrick McArdle and Gottlieb, \{Hugo E.\} and Coles, \{Simon J.\}",

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AU - Howell, James A.S.

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AU - Yates, Paul C.

AU - Cunningham, Desmond

AU - McArdle, Patrick

AU - Gottlieb, Hugo E.

AU - Coles, Simon J.

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AB - 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.

UR - https://www.scopus.com/pages/publications/33751226294

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JO - Dalton Transactions

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

Abstract

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