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Please use this identifier to cite or link to this item: http://apo.ansto.gov.au/dspace/handle/10238/3952

Title: Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals
Authors: Shima, T
Luo, Y
Stewart, T
Bau, R
McIntyre, GJ
Mason, SA
Hou, ZM
Keywords: Neutron Diffraction
Yttrium
Rare Earths
Activation Energy
Hydrides
Hydrogen
Issue Date: 1-Oct-2011
Publisher: Natural Publishing Group
Citation: Shima, T., Luo, Y., Stewart, T., Bau, R., McIntyre, G.J., Mason, S.A., Hou, Z.M. (2011). Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. Nature Chemistry, 3(10), 814-820.
Abstract: Heteromultimetallic hydride clusters containing both rare-earth and d-transition metals are of interest in terms of both their structure and reactivity. However, such heterometallic complexes have not yet been investigated to a great extent because of difficulties in their synthesis and structural characterization. Here, we report the synthesis, X-ray and neutron diffraction studies, and hydrogen addition and release properties of a family of rare-earth/d-transition-metal heteromultimetallic polyhydride complexes of the core structure type 'Ln(4)MH(n)' (Ln = Y, Dy, Ho; M = Mo, W; n = 9, 11, 13). Monitoring of hydrogen addition to a hydride cluster such as [{(C(5)Me(4)SiMe(3))(Y)}(4)(mu-H)(9)Mo(C(5)Me(5))] in a single-crystal to single-crystal process by X-ray diffraction has been achieved for the first time. Density functional theory studies reveal that the hydrogen addition process is cooperatively assisted by the Y/Mo heteromultimetallic sites, thus offering unprecedented insight into the hydrogen addition and release process of a metal hydride cluster. © 2011, Nature Publishing Group.
URI: http://dx.doi.org/10.1038/NCHEM.1147
http://apo.ansto.gov.au/dspace/handle/10238/3952
ISSN: 1755-4330
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