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Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy
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Harding, Dan J., Gruene, P., Haertelt, M., Meijer, Gerard, Fielicke, A., Hamilton, Suzanne M., Hopkins, W. S., Mackenzie, S. R., Neville, S. P. and Walsh, Tiffany R. (2010) Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy. Journal of Chemical Physics, Vol.133 (No.21). 214304-1-214304-9. doi:10.1063/1.3509778 ISSN 0021-9606.
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Official URL: http://dx.doi.org/10.1063/1.3509778
Abstract
The geometric structures of small cationic rhodium clusters Rh-n(+) (n = 6-12) are investigated by comparison of experimental far-infrared multiple photon dissociation spectra with spectra calculated using density functional theory. The clusters are found to favor structures based on octahedral and tetrahedral motifs for most of the sizes considered, in contrast to previous theoretical predictions that rhodium clusters should favor cubic motifs. Our findings highlight the need for further development of theoretical and computational methods to treat these high-spin transition metal clusters. (C) 2010 American Institute of Physics. [doi:10.1063/1.3509778]
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QC Physics Q Science > QD Chemistry Q Science > QP Physiology |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
| Library of Congress Subject Headings (LCSH): | Rhodium, Cations, Infrared spectroscopy, Microclusters | ||||
| Journal or Publication Title: | Journal of Chemical Physics | ||||
| Publisher: | American Institute of Physics | ||||
| ISSN: | 0021-9606 | ||||
| Official Date: | 7 December 2010 | ||||
| Dates: |
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| Volume: | Vol.133 | ||||
| Number: | No.21 | ||||
| Number of Pages: | 9 | ||||
| Page Range: | 214304-1-214304-9 | ||||
| DOI: | 10.1063/1.3509778 | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Access rights to Published version: | Restricted or Subscription Access | ||||
| Funder: | Deutsche Forschungsgemeinschaft (DFG), University of Warwick, Alexander von Humboldt-Stiftung, Engineering and Physical Sciences Research Council (EPSRC), Ramsay Memorial Fellowship Trust |
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