title: Structural diversity of copper-CO2 complexes: infrared spectra and structures of [Cu(CO2)n]- clusters.
abstract: We  present infrared spectra of  [Cu(CO2)n](-) (n = 2-9) clusters in the wavenumber range 1600-2400 cm(-1). The CO stretching modes in this region encode the structural nature of the cluster core and are interpreted with the aid of density functional theory. We find a variety of core species in [Cu(CO2)n](-) clusters, but the dominant core structure is a [Cu(CO2)2](-) core where the two CO2 ligands are bound to the Cu atom in a bidentate fashion. We compare the results of [Cu(CO2)n](-) clusters to those of other [M(CO2)n](-) clusters (M = Au, Ag, Co, Ni) to establish trends of how the metal-CO2 interaction depends on the metal partner.
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
mesh_terms: D002245:Carbon Dioxide / Q000737:chemistry*; D003035:Cobalt / Q000737:chemistry; D003300:Copper / Q000737:chemistry*; D006046:Gold / Q000737:chemistry; D015394:Molecular Structure; D009532:Nickel / Q000737:chemistry; D011789:Quantum Theory; D012834:Silver / Q000737:chemistry; D013055:Spectrophotometry, Infrared
chemical_list: D002245:Carbon Dioxide; D003035:Cobalt; D012834:Silver; D006046:Gold; D003300:Copper; D009532:Nickel