Photoelectron spectra of bis-cyclopentadienyl metal dihalides

He(I) and HE(II) photoelectron spectra are reported for (η-C 5H 5) 2MX 2 (M = Ti; X = F, Cl, Br, I: M = Zr, Hf; X = Cl, Br: M = Ta; X = Cl, Br) and (η-MeC 5H 4) 2MX 2 (M = Nb, X = Cl: M = Mo; X = Cl, Br, I). A substantial variation is found in the ordering of the halogen and cyclopentadienyl ionizat...

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Bibliographic Details
Published in:Journal of electron spectroscopy and related phenomena 1980, Vol.18 (1), p.61-73
Main Authors: Cauletti, Carla, Clark, John P., Green, Jennifer C., Jackson, Sally E., Fragala, Ignazio L., Ciliberto, E., Coleman, Anthony W.
Format: Article
Language:English
Subjects:
Biochemistry, Molecular Biology
Life Sciences
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Summary:He(I) and HE(II) photoelectron spectra are reported for (η-C 5H 5) 2MX 2 (M = Ti; X = F, Cl, Br, I: M = Zr, Hf; X = Cl, Br: M = Ta; X = Cl, Br) and (η-MeC 5H 4) 2MX 2 (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 e 1 orbitals ionize at a lower energy than those occupying halogen pπ orbitals, those in which halogen pπ electrons have lower ionization energy than cyclopentadienyl e 1 electrons and those in which the corresponding electrons arise from extensively delocalized molecular orbitals with significant contributions from both these categories of fragment orbital.
ISSN:0368-2048
1873-2526
DOI:10.1016/0368-2048(80)80006-5