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

School of Chemistry
University of Keele
University of Galway
Bar-Ilan University
University of Southampton

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

20 Citations (Scopus)

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
Publication status	Published - 2006
Externally published	Yes

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10.1039/b610123b

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@article{95945f2732f74432b846040637eecbb9,

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.\}",

year = "2006",

doi = "10.1039/b610123b",

language = "English",

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journal = "Dalton Transactions",

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AU - Fey, Natalie

AU - Howell, James A.S.

AU - Lovatt, Jonathan D.

AU - Yates, Paul C.

AU - Cunningham, Desmond

AU - McArdle, Patrick

AU - Gottlieb, Hugo E.

AU - Coles, Simon J.

PY - 2006

Y1 - 2006

N2 - 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.

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

U2 - 10.1039/b610123b

DO - 10.1039/b610123b

M3 - Article

SN - 1477-9226

SP - 5464

EP - 5475

JO - Dalton Transactions

JF - Dalton Transactions

IS - 46

ER -

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

Abstract

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