Isotopic labelling applied to the infrared spectra of metal complexes

Doctoral Thesis


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University of Cape Town

An investigation of a series of imidazole complexes of first transition metal (II) nitrates, perchlorates and halides is reported. Deuteration of the imidazole ring provides reliable assignments for the internal vibrations of imidazole. This technique also permits unambiguous assignments of the internal vibrations of nitrate or perchlorate by their lack of deutero-sensitivity. The infrared spectra of imidazole and its complexes are examined in order to determine the ratio vD/ vH for bands as signed to the C-H, N-H and ring modes of the heterocyclic ring. With very few exceptions, vD/vH falls within the ranges 0. 74 to 0. 84 and 0. 93 to 1. 00 for C-H and ring vibrations, respectively. The potential usefulness of the results is discussed. Assignments of the M-N and M-halide vibrations are based on the results of the deuteration studies, metal ion substitution and on halogen substitution. The number of M-L vibrations in the far-infrared satisfies the selection rules for the molecular point or site group symmetries and facilitates accurate structural assignments.

Includes bibliographical references.