Infrared photodissociation spectroscopy of mass-selected heteronuclear iron-copper carbonyl cluster anions in the gas phase.

Mass-selected heteronuclear iron-copper carbonyl cluster anions CuFe(CO)n(-) (n = 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.

Infrared photodissociation spectroscopy of mass-selected homoleptic cobalt carbonyl cluster cations in the gas phase.

Infrared spectra of mass-selected homoleptic cobalt carbonyl cluster cations including dinuclear Co2(CO)8(+) and Co2(CO)9(+), trinuclear Co3(CO)10(+) and Co3(CO)11(+), as well as tetranuclear Co4(CO)12(+) are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The geometric structures of these complexes are determined by comparison of the experimental spectra with those calculated by density functional theory. The Co2(CO)8(+) cation is characterized to have a Co-Co bonded structure with Cs symmetry involving a bridging CO ligand.

Infrared photodissociation spectroscopy of mass selected homoleptic copper carbonyl cluster cations in the gas phase.

Infrared spectra of mass-selected homoleptic copper carbonyl cluster cations including dinuclear Cu2(CO)6(+) and Cu2(CO)7(+), trinuclear Cu3(CO)7(+), Cu3(CO)8(+), and Cu3(CO)9(+), and tetranuclear Cu4(CO)8(+) are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The structures are established by comparison of the experimental spectra with simulated spectra derived from density functional calculations. The Cu2(CO)6(+) cation is characterized to have an unbridged D3d structure with a Cu-Cu half bond.

Infrared photodissociation spectra of mass selected homoleptic nickel carbonyl cluster cations in the gas phase.

Infrared spectra of mass-selected homoleptic nickel carbonyl cluster cations including dinuclear Ni2(CO)7(+) and Ni2(CO)8(+), trinuclear Ni3(CO)9(+) and tetranuclear Ni4(CO)11(+) are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The structures are established by comparison of the experimental spectra with simulated spectra derived from density functional calculations. The Ni2(CO)7(+) cation is characterized to have an unbridged asymmetric (OC)4Ni-Ni(CO)3(+) structure with a Ni-Ni single bond.

Carbonyl bonding on oxophilic metal centers: infrared photodissociation spectroscopy of mononuclear and dinuclear titanium carbonyl cation complexes.

Mononuclear and dinuclear titanium carbonyl cation complexes including Ti(CO)(6)(+), Ti(CO)(7)(+), TiO(CO)(5)(+), Ti(2)(CO)(9)(+) and Ti(2)O(CO)(9)(+) are produced via a laser vaporization supersonic cluster source. The ions are mass selected in a tandem time-of-flight mass spectrometer and studied with infrared photodissociation spectroscopy in the CO stretching frequency region. The structures are established by comparison of the experimental spectra with simulated spectra derived from density functional calculations.

Infrared photodissociation spectroscopic and theoretical study of homoleptic dinuclear chromium carbonyl cluster cations with a linear bridging carbonyl group.

Infrared spectra of mass-selected homoleptic dinuclear chromium carbonyl cluster cations Cr(2)(CO)(n)(+) with n = 7-9 are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region in the gas phase. The structures are established by comparison of the experimental spectra with the simulated spectra derived from density functional calculations. The Cr(2)(CO)(n)(+) cluster cations are characterized to have the (OC)(5)Cr-C-O-Cr(CO)(n-6)(+) structures with a linear bridging carbonyl group bonded to one chromium atom through its carbon atom and to the other chromium atom through its oxygen atom.

Infrared photodissociation spectroscopy of mononuclear iron carbonyl anions.

The infrared photodissociation spectroscopy of mass-selected mononuclear iron carbonyl anions Fe(CO)(n)(-) (n = 2-8) were studied in the carbonyl stretching frequency region. The FeCO(-) anion does not fragment when excited with infrared light. Only a single IR active band was observed for the Fe(CO)(2)(-) and Fe(CO)(3)(-) anions, consistent with theoretical predictions that these complexes have linear D(∞h) and planar D(3h) symmetry, respectively.