title: Formation and characterization of the oxygen-rich scandium oxide/dioxygen complexes ScOn (n = 4, 6, 8) in solid argon.
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.
authors.affiliation: Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Advanced Materials Laboratory, Fudan University, Shanghai 200433, P. R. China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Gong
authors.forename: Chuanfan
authors.initials: C
authors.lastname: Ding
authors.forename: Mingfei
authors.initials: M
authors.lastname: Zhou
mesh_terms: D001128:Argon / Q000737:chemistry*; D008958:Models, Molecular; D010100:Oxygen / Q000737:chemistry*; D012538:Scandium / Q000737:chemistry*; D013055:Spectrophotometry, Infrared
chemical_list: D001128:Argon; D010100:Oxygen; C046254:scandium oxide; D012538:Scandium