Mechanisms of Pentacoordinate Pseudorotation. A Molecular Modeling Study of PF5   

Craig D. Montgomery

Department of Chemistry, Trinity Western University, Langley, BC V2Y 1Y1, Canada    

Daniel B. Lawson

Department of Natural Science, University of Michigan-Dearborn, Dearborn, MI 48128-1491    

Abstract

This exercise in molecular modeling allows students to compare the two commonly suggested mechanisms for pseudorotation in pentacoordinate compounds--the Berry and turnstile mechanisms. The evidence from single-point energies, vibrational calculations, and transition-state searching favors the Berry mechanism in the case of PF5.

Journal of Chemical Education, 2001, 78, 844            Full text (PDF)

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