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.
Fey
Natalie
N
School of Chemistry, Cantock's Close, Clifton, Bristol, UKBS8 1TS. natalie.fey@bristol.ac.uk
Howell
James A S
JA
Lovatt
Jonathan D
JD
Yates
Paul C
PC
Cunningham
Desmond
D
McArdle
Patrick
P
Gottlieb
Hugo E
HE
Coles
Simon J
SJ