Allylic interactions in organometallics: probing Electronic structure in (η5-C5H5)Fe(CO)2R,R = CH3, η1-C3H5, η1-C5H5. |
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Authors: | Benedict D Fabian Thomas P Fehlner Ling-Shine J Hwang Jay A Labinger |
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Institution: | Department of Chemistry, University of Notre Dame, Notre Dame, IN 46556 U.S.A. |
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Abstract: | The He(I) photoelectron spectra of (η5-C5H5)Fe(CO)2R, where R = CH3, η1-C3H5 and η1-C5H5, have been recorded. The lowest lying ion states result from ionization of molecular orbitals with large Fe 3d character; these move to lower anergy when R places double bonds in an allylic relationship to the metal atom. The cyclic voltammetric oxidation potential correlates well with the energies of the lowest ion states. A significant interaction between olefin π orbitals and the allylic metal center is proposed. |
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