title: Metal isotope and density functional study of the tetracarboxylatodicopper(II) core vibrations.
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).
authors.affiliation: Institute 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
authors.forename: Piotr
authors.initials: P
authors.lastname: Drozdzewski
authors.forename: Anna
authors.initials: A
authors.lastname: Brozyna
mesh_terms: D002264:Carboxylic Acids / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods; D014732:Vibration
chemical_list: D002264:Carboxylic Acids; D009942:Organometallic Compounds; D003300:Copper