Teaching Bonding in Organometallic Chemistry Using Computational Chemistry

• Gino P. F. van Strijdonck ^[1] ; Paul C. J. Kamer ^[1] ; Piet W. N. M. van Leeuwen ^[1] ; Richard J. van Haaren ^[1] ; Joost N. H. Reek ^[1] ; Henk Oevering ^[2] ; Betty B. Coussens ^[2]
  1. [1] University of Amsterdam

     University of Amsterdam

     Países Bajos

     
  2. [2] DSM Research B.V., The Netherlands
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 79, Nº 5, 2002, pág. 588
• Idioma: inglés
• Texto completo no disponible (Saber más ...)
• Resumen

  • 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.