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.

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2002-10 (20), p.2458-2459
Main Authors: Russo, Maria Rosa, Kaltsoyannis, Nikolas, Sella, Andrea
Format: Article
Language:English
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Description
Summary: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.
ISSN:1359-7345
1364-548X
DOI:10.1039/b207435d