π Backbonding in Carbonyl Complexes and Carbon–Oxygen Stretching Frequencies: A Molecular Modeling Exercise

Craig D. Montgomery

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

Abstract

An exercise in molecular modeling, suitable for a third- or fourth-year course in organometallic or inorganic chemistry, is presented in which the effects of the metal center, the metal charge, and the electron-withdrawing properties of co-ligands upon the degree of π backbonding to carbonyl ligands are demonstrated. The ν _CO values are calculated, along with C–O bond orders for a series of model compounds to demonstrate each effect. The calculated values are also compared with experimental ones.

Journal of Chemical Education, 2007, 84, 102             Full Text (PDF)

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