[Zurück]

P. Weinberger, R. Schamschule, K. Mereiter, L. Dlhan, R. Boca, W. Linert:
"Polynuclear copper-complexes: investigations on a possible biomimetic model compound";
Vortrag: 4th International Symposium on Applied Bioinorganic Chemistry, Kapstadt, Südafrika; 01.04.1997 - 04.04.1997; in: "Final Programme and Book of Abstracts", (1997), ISBN: 1-874826-59-5; S. 36.

The tetranuclear copper(II) complex Cu₄OCl₆(mor)₄ investigated in this paper shows interesting magnetic and electronic properties of the copper-oxygen cluster. Thus an elucidation of these properties might shed light on similar copper coordination compounds, which can be looked at as enzyme-mimetic complexes. The structure and electronic surrounding of the copper(II) coordination centers of the tetranuclear copper(II) complex Cu₄OCl₆(mor)₄ has been investigated by X-ray diffraction and vibrational spectroscopy (Raman and IR) as well as by UV-VIS spectroscopy, and by quantum-chemical calculations on a semi-empirical level (ZINDO/1) as well as on the HF and on the DFT-level. The obtained electron density distribution sheds light on the reactivity of the coordination centers. The temperature dependent magnetic susceptibility measurements exhibit properties related to four paramagnetic (Jahn-Teller-active) copper(II) atoms bridged by diamagnetic atoms, i.e. the six µ₂-chlorides and the central µ₄-oxygen.