Structural diversity of copper-CO2 complexes: infrared spectra and structures of [Cu(CO2)n]- clusters

J Phys Chem A. 2014 Nov 6;118(44):10246-51. doi: 10.1021/jp508219y. Epub 2014 Oct 27.

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.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Carbon Dioxide / chemistry*
  • Cobalt / chemistry
  • Copper / chemistry*
  • Gold / chemistry
  • Molecular Structure
  • Nickel / chemistry
  • Quantum Theory
  • Silver / chemistry
  • Spectrophotometry, Infrared

Substances

  • Carbon Dioxide
  • Cobalt
  • Silver
  • Gold
  • Copper
  • Nickel