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Are metal alkoxides linear owing to electrostatic repulsion?

Russo, MR; Kaltsoyannis, N; Sella, A; (2002) Are metal alkoxides linear owing to electrostatic repulsion? CHEM COMMUN (20) 2458 - 2459. 10.1039/b207435d.

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Abstract

Density functional theory calculations on [LnCp(2)APh] (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 a carbon and the trivalent metal centre.

Type: Article
Title: Are metal alkoxides linear owing to electrostatic repulsion?
DOI: 10.1039/b207435d
Keywords: LANTHANIDE COMPLEXES, MOLECULAR-STRUCTURE, ENERGY, BONDS, DFT, APPROXIMATION, PRECURSORS, CATALYSIS, CRYSTAL, SERIES
UCL classification: UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry
URI: http://discovery.ucl.ac.uk/id/eprint/9408
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