title: Structures of [CoO(CO2)n]- and [NiO(CO2)n]- clusters studied by infrared spectroscopy.
abstract: We present infrared spectra of [CoO(CO2)n](-) and [NiO(CO2)n](-) clusters and interpret them in the framework of computational results employing density functional theory. We find that both [CoO(CO2)n](-) and [NiO(CO2)n](-) clusters are generally composed of the same core isomers. The dominant isomers consist of an η(2) CO2 ligand and a CO3 moiety that can be bound to the metal atom with monodentate (η(1)) or bidentate (η(2)) connectivity. Minor structural isomers observed are composed of a C2O4 moiety with a lone oxygen atom or a CO3 unit.
authors.affiliation: JILA and Department of Chemistry and Biochemistry, University of Colorado , Boulder, Colorado 80309, United States.
authors.forename: Benjamin J
authors.initials: BJ
authors.lastname: Knurr
authors.forename: J Mathias
authors.initials: JM
authors.lastname: Weber