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Updated: Aug 15, 2026
Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Metal isotope and density functional study of the tetracarboxylatodicopper(II) core vibrations
Piotr Drozdzewski1, Anna Brozyna
1Institute of Inorganic Chemistry and Metallurgy of Rare Elements, Faculty of Chemistry, Wrocław University of Technology, Wybrzeze St. Wyspiańskiego 27, 50-370 Wrocław, Poland. piotr.drozdzewski@pwr.wroc.pl
Abstract:
Vibrational spectra of tetrakis(acetato)diaquadicopper(II) complex have been deeply examined in order to provide a detailed description of dynamics of [Cu(2)O(8)C(4)] core being a typical structural unit of most copper(II) carboxylates. Low frequency bands related to significant motions of metal atoms were detected by metal isotope substitution. Observed spectra and isotope shifts were reproduced in DFT calculations. For clear presentation of computed normal vibrations, a D(4h) symmetry approximation was successfully applied. Basing on observed isotope shifts and calculation results, all skeletal vibrations have been analyzed including normal mode with the largest Cu...Cu stretching amplitude assigned to Raman band at 178 cm(-1).
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