X-Ray Study of the Electronic Structure of Copper(II) Acetylacetonate

Author: Mazalov L.   Trubina S.   Fomin E.   Oglezneva I.   Parygina G.   Bausk N.   Igumenov I.  

Publisher: Springer Publishing Company

ISSN: 0022-4766

Source: Journal of Structural Chemistry, Vol.45, Iss.5, 2004-09, pp. : 800-807

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Abstract

The Cu(acac)2 complex was investigated by X-ray emission and XANES spectroscopy using synchrotron radiation. Structural data for the complex were obtained in chloroform solution and C2F matrix. The experimental spectra and their fitting on a single scale of binding energies point to possible relaxation effects. As shown by model quantum-chemical calculations, the structure and energy position of the LUMOs constructed from the vacant metal 4p, 5p AOs strongly depends on the nature of the nearest environment.

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