Separation of mass effects from electronic effects in the vibrational spectra of metal complexes

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Abstract
An analysis has been made of the effects of off-diagonal elements of the force constant and G matrices on the vibrational frequencies of octahedral halides. It has been shown that bend–stretch interaction can reasonably be neglected, and hence for the molecules MX6 the i.r. and Raman spectra are sufficient to determine the three stretching force constants necessary to determine the complete harmonic force field. This force field is then used to predict a first approximation to the M–X stretching frequencies of the series MXnY6 –n. Finally the vibrational spectrum of WF5Cl is analysed to give possible sets of force constants and from these it is possible to conclude that replacement of F by Cl strengthens the trans-W–F bond and weakens the cis-W–F bonds.

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