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          Institute: Fritz-Haber-Institut     Collection: Molecular Physics     Display Documents



ID: 21301.0, Fritz-Haber-Institut / Molecular Physics
Infrared spectroscopy of niobium oxide cluster cations in a molecular beam: Identifying the cluster structures
Authors:Fielicke, Andre; Meijer, Gerard; von Helden, Gert
Language:English
Date of Publication (YYYY-MM-DD):2003-03-26
Title of Journal:Journal of the American Chemical Society
Journal Abbrev.:J. Am. Chem. Soc.
Volume:125
Issue / Number:12
Start Page:3659
End Page:3667
Review Status:Peer-review
Audience:Experts Only
Abstract / Description: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.
Free Keywords:TRANSITION-METAL OXIDE; FREE-ELECTRON-LASER; GROUP-V; PHOTOELECTRON-SPECTROSCOPY; CATALYTIC ACTIVATION; PRIMARY ALCOHOLS; ANIONS; IONS; OXIDATION; SURFACES
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
External Affiliations:EURATOM, FOM, Inst Plasma Phys Rijnhuizen, Nieuwegein, Netherlands,
Catholic Univ Nijmegen, Dept Mol & Laser Phys, Nijmegen, Netherlands
Identifiers:URL:http://pubs.acs.org/cgi-bin/article.cgi/jacsat/200...
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