Epr studies of copper(ii) complexes of α-amino acids in host crystals of the corresponding polycrystalline zinc(ii) complexes: Metal-ligand bonds and molecular structure

Terézia Szabó-Plánka, László I. Horváth

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Abstract

The coordinative bonds in the copper(II) complexes of twelve a-amino acids have been studied. Molecular orbital coefficients have been calculated according to D4h symmetry, using the EPR spectral data on the corresponding polycrystalline copper(II)-doped zinc(II) complexes in conjunction with the electronic transition energies obtained by Gaussian analysis of the reflectance spectra of the pure copper (II) compounds. Multiple linear regression analysis has been carried out between the MO coefficients and various structural data. It has been established that (a) with increasing covalency of the in-plane a bond, the covalency of the in-plane π bond decreases, and (b) the greater the deviation from elongated octahedral towards square-pyramidal geometry, the more covalent the out-of-plane π bond becomes.

Original languageEnglish
Pages (from-to)163-172
Number of pages10
JournalJournal of Coordination Chemistry
Volume13
Issue number2
DOIs
Publication statusPublished - Mar 1 1984

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Materials Chemistry

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