Russo, MR and Kaltsoyannis, N and 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 |
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