“…Because H-bonding can significantly alter the vibrational bands of carboxylates, the location of H atoms and the lengths of H-bonds in crystals are necessary for evaluating the influence of metal complexation and H-bonding on the vibrational spectra of metal carboxylates. Although some structural analysis of Ni(II)-acetate, Ni(II)-malonate, and Ni(II)-citrate is available, detailed infrared spectral analysis of these phases with respect to hydrogen bonding is missing (Downie et al, 1971;Baker et al, 1983;Nicolai et al, 1998;Ruiz-Pérez et al, 2000). Although ab initio and semi-empirical calculations can help in the evaluation of infrared spectra, the spectral variations recorded for aqueous carboxylates in the absence and presence of Ni(II) are too small to predict using these approaches (Ͻ35 cm Ϫ1 for all examined ligands).…”