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          Document History for Document ID 475482

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Document Version Version Comment Date Status
475482.1 [No comment] 09.08.2011 16:39 Released
475482.0 [No comment] 07.07.2010 08:55 Released

ID: 475482.1, Fritz-Haber-Institut / Molecular Physics
Infrared Spectroscopy and Binding Geometries of Oxygen Atoms Bound to Cationic Tantalum Clusters
Authors:Fielicke, André; Gruene, Philipp; Haertelt, Marko; Harding, Daniel; Meijer, Gerard
Language:English
Date of Publication (YYYY-MM-DD):2010-05-26
Title of Journal:Journal of Physical Chemistry A
Journal Abbrev.:J. Phys. Chem. A
Volume:114
Issue / Number:36
Start Page:9755
End Page:9761
Title of Issue:Reinhard Schinke Festschrift
Copyright:2010 American Chemical Society
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:The binding of isolated oxygen atoms to small tantalum clusters is investigated using vibrational spectroscopy. Infrared spectra of TanO⁺ 0;1;2 (n=6–11) are reported in the range of 90–1100 cm -1,comprising both the internal cluster modes and the adatom’s vibrations. The vibrational spectra are compared to the results of DFT calculations for n=6–8, which show that the oxygen atoms bind preferentially as 2-fold bridging adatoms. Addition of one or two O atoms induces only minor distortions of the underlying metal cluster core.
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
Identifiers:URL:http://pubs.acs.org/doi/abs/10.1021/jp102084n
DOI:10.1021/jp102084n
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