Abstract
Metal–ligand vibrations were localised in the far-infrared spectrum of polymeric [ZnCl(IA)(HIA)]·H 2O complex (HIA denotes the 4-imidazoleacetic acid) with help of metal isotope and ClBr substitution effects. Detailed assignment of the observed bands has been proposed on the basis of the density functional theory calculations, carried out for three models representing the metal surrounding in various extents. The observed isotope shifts and halogen substitution effects were reproduced in calculations and used for verification of the theoretical spectra.
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