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

…, JD Lovatt, PC Yates, D Cunningham, P McArdle…

Index: Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J. Dalton Transactions, 2006 , # 46 p. 5464 - 5475

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Citation Number: 8

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.