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Formation and characterization of the oxygen-rich scandium oxide/dioxygen complexes ScOn (n = 4, 6, 8) in solid argon.

The journal of physical chemistry. A (2007-10-18)
Yu Gong, Chuanfan Ding, Mingfei Zhou
ABSTRACT

The reactions of scandium atoms and O(2) have been reinvestigated using matrix isolation infrared spectroscopy and density functional theory calculations. A series of new oxygen-rich scandium oxide/dioxygen complexes were prepared and characterized. The ground state scandium atoms react with dioxygen to form OSc(eta(2)-O(3)), a side-on bonded scandium monoxide-ozonide complex. The OSc(eta(2)-O(3)) complex rearranges to a more stable Sc(eta(2)-O(2))(2) isomer under visible light irradiation, which is characterized to be a side-on bonded superoxo scandium peroxide complex. The homoleptic trisuperoxo scandium complex, Sc(eta(2)-O(2))(3), and the superoxo scandium bisozonide complex, (eta(2)-O(2))Sc(eta(2)-O(3))(2), are also formed upon sample annealing. The Sc(eta(2)-O(2))(3) complex is determined to have a D(3h) symmetry with three equivalent side-on bonded superoxo ligands around the scandium atom. The (eta(2)-O(2))Sc(eta(2)-O(3))(2) complex has a C(2) symmetry with two equivalent side-on bonded O3 ligands and one side-on bonded superoxo ligand.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Scandium(III) oxide, 99.9% trace rare earth metals basis
Sigma-Aldrich
Scandium(III) oxide, powder, 99.995% trace rare earth metals basis
Sigma-Aldrich
Scandium(III) oxide, 99.99% trace rare earth metals basis