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Infrared spectroscopy of niobium oxide cluster cations in a molecular beam: Identifying the cluster structures

MPG-Autoren
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Meijer,  Gerard
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Zitation

Fielicke, A., Meijer, G., & Helden, G. v. (2003). Infrared spectroscopy of niobium oxide cluster cations in a molecular beam: Identifying the cluster structures. Journal of the American Chemical Society, 125(12), 3659-3667. doi:10.1021/ja0288946.


Zitierlink: https://hdl.handle.net/11858/00-001M-0000-0011-1099-1
Zusammenfassung
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.