Are metal alkoxides linear owing to electrostatic repulsion?
Density functional theory calculations on [LnCp2APh] (Ln = La, Lu; Cp = eta 5-C5H5; A = O, S; Ph = C6H5) suggest that the linearity of the Ln-O-C vectors arises largely as a result of electrostatic repulsion between the alpha carbon and the trivalent metal centre.
Russo
Maria Rosa
MR
Department of Chemistry, University College London, 20 Gordon Street, London, UK.
Kaltsoyannis
Nikolas
N
Sella
Andrea
A