Agostic interactions in organometallic compounds. A cambridge structural database study

Braga, Dario ; Grepioni, Fabrizia ; Biradha, Kumar ; Desiraju, Gautam R. (1996) Agostic interactions in organometallic compounds. A cambridge structural database study Journal of the Chemical Society, Dalton Transactions (20). pp. 3925-3930. ISSN 0300-9246

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Official URL: http://pubs.rsc.org/en/Content/ArticleLanding/1996...

Related URL: http://dx.doi.org/10.1039/DT9960003925

Abstract

Agostic interaction geometries, C-H … M (M = Li, Group 4 or 5 transition metal or other), have been investigated with data retrieved from the Cambridge Structural Database. Analysis of both neutron- and X-ray-derived structures shows that a strengthening of the H … M agostic bond is accompanied by a corresponding weakening of the C-H bond. A similarity in behaviour of Li to the heavier transition metals is observed in these agostic interactions. Di- and tri-bridged C-H … Li geometries involving alkyl groups occur in both intra- and inter-molecular cases.

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