| THEORETICAL AND SPECTROSCOPIC INVESTIGATIONS OF MONO- AND BIS-DIOXYGEN COPPER COMPLEXES* (1981) | |||||||||
Abstract | |||||||||
| $^{*}$ Lash Miller Chemical Laboratories and Erindale College, University of Toronto, Toronto Ontario MSS 1A1, Canada. $^{+}$ Instituto Mexicano del Petro Aleo. Av. Cien Metros, NO. 152, Mexico 14, D.F Mexico.. Author Institution:. The electron paramagnetic resonance (epr) of matrix isolated copperdioxygon complexes is reported for the first time. The cocondensation of Cu atoms with an Ar/$O_{2}$ gas mixture at 12 K results in Cu($O_{2}$) and Cu($O_{2})_{2}$ which are characterized by epr. The Cu($O_{2}$) complex is found to be the predominant, species at low oxygen concentrations, while the Cu($O_{2})_{2}$ is the major component at higher oxygen concentrations. The complexes exhibit a preferential alignment in the matrix at 12 K which helps identify the parallel and perpendicular components of the g and hyperfine tensors. The Cu($O_{2})_{2}$ complex is found to be photoreactive and its bleaching may be accomplished by UV irradiation (290 nm). The epr, electronic absorption and fluorescence spectroscopy together with theoretical SCF-X$\alpha-$SW calculations and their relation to the structure and bonding of these two complexes is discussed. | |||||||||
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