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  Infrared Spectroscopy and Binding Geometries of Oxygen Atoms Bound to Cationic Tantalum Clusters

Fielicke, A., Gruene, P., Haertelt, M., Harding, D., & Meijer, G. (2010). Infrared Spectroscopy and Binding Geometries of Oxygen Atoms Bound to Cationic Tantalum Clusters. Journal of Physical Chemistry A, 114(36), 9755-9761. doi:10.1021/jp102084n.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0010-F59D-2 Version Permalink: https://hdl.handle.net/21.11116/0000-0009-925C-B
Genre: Journal Article

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 Creators:
Fielicke, André1, Author           
Gruene, Philipp1, Author           
Haertelt, Marko1, Author           
Harding, Daniel1, Author           
Meijer, Gerard1, Author           
Affiliations:
1Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              

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 Abstract: 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.

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Language(s): eng - English
 Dates: 2010-05-26
 Publication Status: Issued
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 475482
DOI: 10.1021/jp102084n
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Title: Journal of Physical Chemistry A
  Alternative Title : J. Phys. Chem. A
Source Genre: Journal
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Pages: - Volume / Issue: 114 (36) Sequence Number: - Start / End Page: 9755 - 9761 Identifier: -