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Teaching Bonding in Organometallic Chemistry Using Computational Chemistry

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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

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

J. Chem. Educ., 2002, 79 (5), p 588

DOI: 10.1021/ed079p588

Publication Date (Web): May 1, 2002

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.

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Received: August 03, 2009

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Teaching Bonding in Organometallic Chemistry Using Computational Chemistry

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The Quantification of Electronegativity: Some Precursors

The Atomic Mass Unit, the Avogadro Constant, and the Mole: A Way To Understanding

Learning about Intermolecular Interactions from the Cambridge Structural Database

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