Teaching Bonding in Organometallic Chemistry Using Computational Chemistry   

Richard J. van Haaren and Joost N. H. Reek

Institute of Molecular Chemistry, University of Amsterdam, Amsterdam, The Netherlands    

Henk Oevering and Betty B. Coussens

DSM Research B.V., Geleen, The Netherlands    

Gino P. F. van Strijdonck, Paul C. J. Kamer, and Piet W. N. M. van Leeuwen

Institute of Molecular Chemistry, University of Amsterdam, The Netherlands    

Abstract

Homogeneous catalysis is an important field in chemistry. More and more, computational techniques can be used for a rational design of the catalyst. In this contribution, the geometrical features of cationic (ligand) Pd (crotyl) complexes are used to illustrate important concepts of organometallic chemistry at the undergraduate level. The effect of the bite angle of bidentate phosphine ligands on the syn:anti ratio of such complexes is explored and students are encouraged to design ligands that influence the syn:anti ratio in the way desired.

Journal of Chemical Education, 2002, 79, 588            Full text (PDF)

-- SiripornJu - 08 Mar 2007