Infrared Photodissociation Spectroscopy of Mass-Selected Heteronuclear
Iron–Copper Carbonyl Cluster Anions in the Gas Phase
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Abstract
Mass-selected heteronuclear iron–copper
carbonyl cluster anions CuFe(CO)<sub><i>n</i></sub><sup>–</sup> (<i>n</i> = 4–7) are studied by infrared
photodissociation spectroscopy in the carbonyl stretching frequency
region in the gas phase. The cluster anions are produced via a laser
vaporization supersonic cluster ion source. Their geometric structures
are determined by comparison of the experimental spectra with those
calculated by density functional theory. The experimentally observed
CuFe(CO)<sub><i>n</i></sub><sup>–</sup> (<i>n</i> = 4–7) cluster anions are characterized to have
(OC)<sub>4</sub>Fe–Cu(CO)<sub><i>n</i>−4</sub> structures, each involving a <i>C</i><sub>3<i>v</i></sub> symmetry Fe(CO)<sub>4</sub><sup>–</sup> building block.
Bonding analysis indicates that the Fe–Cu bond in the CuFe(CO)<sub><i>n</i></sub><sup>–</sup> (<i>n</i> =
4–7) cluster anions is a σ type single bond with the
iron center possessing the most favored 18-electron configuration.
The results provide important new insight into the structure and bonding
of hetronuclear transition metal carbonyl cluster anions