X-RAY ABSORPTION SPECTROSCOPIC AND MAGNETO- CHEMICAL ANALYSIS OF THE ATOMIC STRUCTURE OF COPPER(II) COMPLEXES WITH DIACETYL MONOXIME 1′-PHTHALAZINYL HYDRAZONE
M. A. Bryleva, A. N. Kravtsova, I. N. Shcherbakov, S. I. Levchenkov, L. D. Popov, V. A. Kogan, Y. P. Tupolova, Y. V. Zubavichus, A. L. Trigub, A. V. Soldatov
Keywords: copper(II) complexes, atomic structure, electronic structure, XANES spectroscopy, magnetochemistry
Pages: 297-306
Abstract
The atomic structure of copper(II) complexes based on diacetyl monoxime 1′-phthalazinyl hydrazone is studied by XANES spectral analysis and magnetochemistry. The XANES spectra at the CuK-edge are measured in С24H24N10Cu2O2 and С24H24N10Cu2O2 complexes. The calculations of the CuK-XANES spectra of the complexes in question are performed for a few structural models based on the full-potential finite difference method. By low-temperature magnetochemistry magnetic exchange parameters are determined, and a quantum chemical simulation of the exchange interaction is carried out within the broken symmetry approximation. Based on a combined analysis of the XANES spectra and magnetic exchange parameters, the most probable structural models of С24H24N10Cu2O2 and С24H24N10Cu2O2 complexes are found.
|
