Theoretical and Synthetic Studies on [Zn2(η5‐C5Me5)2]: Analysis of the ZnZn Bonding Interaction

descriptionPublicationkeyboard_double_arrow_right Article 04 Feb 2005 Spain English Publisher:WileyJournal:Angewandte Chemie International Edition, volume 44, pages 1,244-1,247 (issn: 1433-7851, eissn: 1521-3773,

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Authors: Río, Diego del; Galindo, Agustín; Resa, Irene; Carmona, Ernesto;

doi: 10.1002/anie.200462175 , 10.1002/ange.200462175

pmid: 15662655

handle: 10261/36111

Theoretical and Synthetic Studies on [Zn2(η5‐C5Me5)2]: Analysis of the ZnZn Bonding Interaction

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Abstract

More than 1 g of the dizinc compound [Zn2(η5-C5Me5)2] can be readily obtained in a single preparation. Density functional calculations reveal that the Zn-Zn bond is relatively strong and derives mainly from interaction between the Zn 4 s orbitals (see picture).

Financial support from the DGESIC (Projects BQU2001-1995 and BQU2001-3715) and from the Junta de Andalucía is gratefully acknowledged. D.d.R. and I.R. thank the EU and Ministry of Education, respectively, for research grants.

4 páginas, figuras

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Spain

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Keywords

Density functional calculations, Zinc, Metallocenes, Bond energy, Cyclopentadienyl ligands

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