Collect. Czech. Chem. Commun. 1986, 51, 1843-1855

Topological aspects of chemical reactivity. Catalytic reactions

Robert Ponec

Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol


Recently proposed overlap determinant method is applied to the description of reactions induced by the presence of the transition metal catalysts. The use of this technique is demonstrated on a detailed analysis of a number of examples of thermally forbidden pericyclic reactions in which the interaction with the catalyst removes the symmetry restrictions imposed by Woodward-Hoffmann rules.