We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
X-ray diffraction, magnetochemical, and quantum chemical study of the structure and properties of binuclear copper(II) complexes.
- Authors
Nikolaevskii, S.; Burlov, A.; Bogomyakov, A.; Vlasenko, V.; Garnovskiy, D.; Starikov, A.; Zubavichus, Ya.; Vasilchenko, I.; Levchenkov, S.; Uraev, A.
- Abstract
The binuclear chelates of copper(II) based on the tridentate azomethine ligands were synthesized and characterized by elemental analysis, IR, H NMR spectroscopy, X-ray absorption spectroscopy (XANES and EXAFS), and magnetic measurements. The quantum-chemical study of the structure and calculation of magnetic properties of the obtained metal-chelates was performed using the density functional theory with the broken symmetry technique. The performed magnetochemical studies in the temperature range 2-300 K suggest the existence of antiferromagnetic exchange interaction in all obtained complexes. The parameters of the exchange interaction −2 J > 260 cm were determined experimentally for all compounds, the experimental data is in a good agreement with the results of quantum-chemical calculations.
- Subjects
MAGNETIC properties of copper; COPPER chelates; COPPER compounds spectra; X-ray diffraction; X-ray absorption spectra; MAGNETOCHEMISTRY; QUANTUM chemistry; NUCLEAR magnetic resonance spectroscopy
- Publication
Russian Journal of General Chemistry, 2012, Vol 82, Issue 11, p1770
- ISSN
1070-3632
- Publication type
Article
- DOI
10.1134/S1070363212110047