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

19 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

Access to Document

10.1039/b610123b

Cite this

@article{bfbbca9ce69a40dda51e42b28a024f1b,

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 = "אנגלית",

pages = "5464--5475",

journal = "Dalton Transactions",

issn = "1477-9226",

publisher = "Royal Society of Chemistry",

number = "46",

}

TY - JOUR

T1 - A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines

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 - http://www.scopus.com/inward/record.url?scp=33751226294&partnerID=8YFLogxK

U2 - 10.1039/b610123b

DO - 10.1039/b610123b

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:33751226294

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

Access to Document

Other files and links

Fingerprint

Cite this