title: Are metal alkoxides linear owing to electrostatic repulsion?
abstract: 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.
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London, UK.
authors.forename: Maria Rosa
authors.initials: MR
authors.lastname: Russo
authors.forename: Nikolas
authors.initials: N
authors.lastname: Kaltsoyannis
authors.forename: Andrea
authors.initials: A
authors.lastname: Sella