THE ELECTRONIC STRUCTURE OF COBALT COMPLEXES Co(CO)4GeCl3 AND Co[Ge(C6H5)3](CO)3[P(C6H5)3]
A. V. Maksimova1, V. G. Vlasenko1, A. V. Kozinkin1, O. V. Kulikova1, S. S. Podsukhina1, V. N. Uvarov2
1Research Institute of Physics, Southern Federal University, Rostov-on-Don, Russia
2Kurdyumov Institute for Metal Physics of the National Academy of Sciences of Ukraine, Kyiv, Ukraine
Keywords: X-ray emission spectra, density functional theory method, electronic structure, heteronuclear cobalt carbonyl complexes
Subsection: PROCEEDINGS OF THE CONFERENCE “X-RAY AND ELECTRONIC SPECTRA AND CHEMICAL BOND (XESCB)” NOVOSIBIRSK SCIENTIFIC CENTER, OCTOBER 7-11, 2013
Abstract
The electronic structure of two dinuclear heteroligand metal complexes Co(CO)4GeCl3 and Co[Ge(C6H5)3](CO)3[P(C6H5)3] with the Co-Ge bond is studied by X-ray emission spectroscopy and quantum chemical calculations at the density functional theory level. The combined analysis of the fine structure of the Со K b5 spectra and the calculated data makes it possible to compare the characteristics of the spectral components and to determine chemical interactions in the molecules.
DOI: http://dx.doi.org/10.1134/S0022476615030142
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