jp5108608_si_001.pdf (278.98 kB)
Structures of [CoO(CO2)n]− and [NiO(CO2)n]− Clusters Studied by Infrared Spectroscopy
journal contribution
posted on 2015-02-05, 00:00 authored by Benjamin
J. Knurr, J. Mathias WeberWe
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 η2 CO2 ligand and a CO3 moiety that can
be bound to the metal atom with monodentate (η1)
or bidentate (η2) connectivity. Minor structural
isomers observed are composed of a C2O4 moiety
with a lone oxygen atom or a CO3 unit.