Resumen de Teaching Bonding in Organometallic Chemistry Using Computational Chemistry

Gino P. F. Van Strijdonck, Paul C. J. Kamer, Piet W. N. M. Van Leeuwen, Richard J. van Haaren, Joost N. H. Reek, Henk Oevering, Betty B. Coussens

• 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.