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Infrared spectra and structures of di-µ-carbonyl-(π-cyclopentadienylnickelio)carbonyl-π-cyclopentadienyliron(Ni–Fe), (π-C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>FeNi(CO)<sub>3</sub>and di-µ-carbonyl-bis-(π-cyclopentadienylnickel)(Ni–Ni), [(π-C<sub>5</sub>H<sub>5</sub>)Ni(CO)]<sub>2</sub>
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1971
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Inorganic ChemistryTerminal Co GroupsEngineeringPuckered Ni·µSpectroscopyNatural SciencesInfrared SpectroscopyCoordination ComplexSpectra-structure CorrelationMolecular ComplexComputational ChemistryChemistryMolecular ChemistrySpectroscopic PropertyBiophysicsAlmost-planar Fe·µ
The i.r. spectra of [(π-C5H5)2FeNi(CO)3] and [(π-C5H5)Ni(CO)]2 have been investigated. They are independent of solvent, and are consistent with molecular structures which possess an almost-planar Fe·µ(CO)2·Ni and a puckered Ni·µ(CO)2·Ni bridging system respectively. Simple force-constant calculations which ignore interactions in v(CO) for bridging and terminal CO groups have been carried out. They accurately predict the frequencies of the v(CO) modes of molecules containing one 13CO ligand for both compounds.