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.
Similar content being viewed by others
REFERENCES
Yu. A. Zolotov, Extraction of Chelate Compounds [in Russian], Nauka, Moscow (1968).
Yu. A. Zolotov and N. M. Kuzmin, Concentration of Microelements [in Russian], Khimiya, Moscow (1982).
V. I. Spitsyn (ed.), Problems in the Chemistry and Application of Metal β-Diketonates [in Russian], Nauka, Moscow (1982).
B. N. Plakhutin, G. M. Zhidomirov, and K. I. Zamaraev, Zh. Strukt. Khim., 24, No.2, 3–11 (1983).
J. P. Fackler, F. A. Cotton, and D. W. Barnum, Inorg. Chem., 2, No.1, 97 (1963).
S. V. Volkov, E. A. Mazurenko, and L. I. Zheleznova, Ukr. Khim. Zh., 43, 289–291 (1977).
V. V. Korochentsev, Chemical Sciences Candidate’s Dissertation, Far East State University, Vladivostok (2000).
Yu. Ustinov, V. V. Korochentsev, I. B. Lvov, and V. I. Vovna, Koordinats. Khim., 23, No.5, 376–379 (1997)
I. B. Lvov, Chemical Sciences Doctoral Dissertation, Far East State University, Vladivostok (1998).
V. I. Nefedov and V. I. Vovna, Electronic Structure of Chemical Compounds [in Russian], Nauka, Moscow (1987).
L. N. Mazalov, X-Ray Spectra [in Russian], Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk (2003).
L. N. Mazalov, S. V. Trubina, G. K. Parygina, et al., Zh. Strukt. Khim., 44, No.6, 1063–1070 (2003).
I. P. Aleksandrova, D. N. Shigorin, and A. P. Skoldinov, ibid., 38, No.5, 1203–1209 (1964).
I. P. Aleksandrova, Zh. Strukt. Khim., 4, No.2, 231–234 (1963).
HyperChem, Release 5.02, Molecular Modeling System, Hypercube Inc. (1977).
A. D. Becke, Phys. Rev., A38, 3098–3100 (1988).
A. D. Becke, J. Chem. Phys., 98, 1372–1377 (1993).
P. J. Hay and W. R. Wadt, ibid., 82, 299–310 (1985).
Jaguar 3.5, Shrodinger Inc., Portland, OR (1983).
L. S. Lussier, C. Sandorfy, A. Goursoft, et al., J. Phys. Chem., 88, 5492–5503 (1984).
A. A. Voityuk and L. N. Mazalov, Zh. Strukt. Khim., 23, No.1, 61–66 (1982).
A. I. Kitaigorodskii, V. M. Nekipelov, and K. I. Zamaraev, ibid., 19, No.5, 796–803 (1978).
B. Ya. Simkin and I. I. Sheikhet, Physical Chemistry. Modern Problems, Annual [in Russian], Khimiya, Moscow (1983), pp. 148–179.
L. N. Mazalov, N. V. Bausk, S. B. Erenburg, and S. V. Larionov, Zh. Strukt. Khim., 42, No.5, 936–947 (2001).
Author information
Authors and Affiliations
Additional information
Original Russian Text Copyright © 2004 by L. N. Mazalov, S. V. Trubina, E. S. Fomin, I. M. Oglezneva, G. K. Parygina, N. V. Bausk, and I. K. Igumenov
__________
Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 844–851, September–October, 2004.
Rights and permissions
About this article
Cite this article
Mazalov, L.N., Trubina, S.V., Fomin, E.S. et al. X-Ray Study of the Electronic Structure of Copper(II) Acetylacetonate. J Struct Chem 45, 800–807 (2004). https://doi.org/10.1007/s10947-005-0061-2
Received:
Issue Date:
DOI: https://doi.org/10.1007/s10947-005-0061-2