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  • Title: Infrared spectroscopy of niobium oxide cluster cations in a molecular beam: identifying the cluster structures.
    Author: Fielicke A, Meijer G, von Helden G.
    Journal: J Am Chem Soc; 2003 Mar 26; 125(12):3659-67. PubMed ID: 12643729.
    Abstract:
    Infrared spectra of niobium oxide cluster cations are measured via IR multiple photon dissociation spectroscopy in the 400-1650 cm(-1) region. The cluster cations are obtained directly from a laser vaporization source and irradiated with the infrared light emitted by a free electron laser. For those oxide clusters that fragment after excitation, the IR spectra are recorded by measuring the cluster intensity changes as a function of the IR wavelength. The spectra of all examined oxide clusters exhibit two main absorption features that can be assigned to vibrations of terminal (Nb=O) or bridging (Nb-O-Nb) oxide groups. For selected clusters DFT calculations at the B3LYP/LACVP* level have been performed and the calculated vibrational spectra are compared to the experimental data to identify the gas phase structures of the clusters.
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