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Author Hsu, H. F. ♦ Shapely, J. R.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword MATERIALS SCIENCE ♦ CHEMISTRY ♦ RUTHENIUM COMPLEXES ♦ SYNTHESIS ♦ FULLERENES ♦ MOLECULAR STRUCTURE ♦ BOND LENGTHS ♦ ORGANOMETALLIC COMPOUNDS
Abstract We report the synthesis and first structural characterization of a hexahapto C{sub 60} complex, in which C{sub 60} displays arene-like coordination to the open face of a triruthenium cluster. The bonding of C{sub 60} to a single transition metal center has been analyzed in terms of the familiar Dewar-Chatt-Duncanson donation/back-donation model, with a `double bond` donor orbital largely generated from the HOMO (h{sub u}) and the corresponding acceptor orbital formed from the LUMO (t{sub 1u}). Because of the relatively low energies of the C{sub 60} orbitals (high electron affinity), there is strong charge transfer (back-donation) from the metal center to coordinated C{sub 60}, consistent with experimental data on stable compounds. A qualitatively similar bonding model, in terms of donor/acceptor interactions of C{sub 60} with the Ru{sub 3}(CO){sub 9} fragment, is likely for 1; theoretical studies of the bonding in the benzene complexes 2 and 3 provide analogies. However. the relative contribution of back-donation to bonding with the metal triangle should be higher for C{sub 60} than for benzene, which is consistent with both the higher v{sub CO} values and the shorter Ru-C distances seen for 1 compared with those of 2. 21 refs., 1 fig.
ISSN 00027863
Educational Use Research
Learning Resource Type Article
Publisher Date 1996-09-25
Publisher Place United States
Journal Journal of the American Chemical Society
Volume Number 118
Issue Number 38


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