Photoelectron spectra of bis-cyclopentadienyl metal dihalides |
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Authors: | Carla Cauletti John P. Clark Jennifer C. Green Sally E. Jackson Ignazio L. Fragala E. Ciliberto Anthony W. Coleman |
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Affiliation: | Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR Gt. Britain;Dipartmento di Chimica Generale, Universita di Catania, Viale A. Doria 6, 95125 Catania Italy;University of Sussex, School of Molecular Sciences, Brighton BN1 9QJ Gt. Britain |
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Abstract: | He(I) and HE(II) photoelectron spectra are reported for (η-C5H5)2MX2 (M = Ti; X = F, Cl, Br, I: M = Zr, Hf; X = Cl, Br: M = Ta; X = Cl, Br) and (η-MeC5H4)2MX2 (M = Nb, X = Cl: M = Mo; X = Cl, Br, I). A substantial variation is found in the ordering of the halogen and cyclopentadienyl ionizations, the order being dependent on the metal as well as on the halogen. The compounds may be divided into three classes, namely, those in which the electrons in cyclopentadienyl e1 orbitals ionize at a lower energy than those occupying halogen pπ orbitals, those in which halogen pπ electrons have lower ionization energy than cyclopentadienyl e1 electrons and those in which the corresponding electrons arise from extensively delocalized molecular orbitals with significant contributions from both these categories of fragment orbital. |
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Keywords: | Author to whom correspondence should be addressed. |
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