Formation and characterization of the CuO5, CuO4 and CuO4− complexes in solid argon

Literature Information

Publication Date 2009-07-31
DOI 10.1039/B909999A
Impact Factor 3.676
Authors

Yu Gong, Mingfei Zhou


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Abstract

Matrix isolation infrared spectra and quantum chemical calculations of the copper dioxygen/ozonide complexes, CuO5, CuO4 and CuO4− are reported. These oxygen-rich species were prepared by reactions of laser-evaporated copper atoms with dioxygen or ozone in solid argon. The CuO5 complex was determined to be a superoxo copper ozonide complex, in which both the superoxo and ozonide ligands are side-on bonded to the copper center. It was predicted to have a 4A1 ground state with planar C2v symmetry. Besides CuO5, the previously observed CuO4 complex and a new CuO4− anion were also formed. The CuO4 complex was characterized to be a side-on bonded copper disuperoxide complex, which has a 4B2u ground state with planar D2h symmetry. The CuO4− anion was characterized to be a disuperoxide complex with both superoxide ligands coordinated to the Cu center in an end-on fashion having a 3Au ground state with planar C2h symmetry.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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