A comparison between shake-up and UV charge-transfer transitions |
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| Authors: | Antonio Raudino Franco Battaglia |
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| Institution: | Istituto Dipartimentale di Chimica e Chimica Industriale, Università di Catania, Viale A. Doria 8, 95125 Catania Italy |
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| Abstract: | The He(II) spectra of the unsubstituted metallocenes {M(η-C5H5)2}, M V, Cr, Mn, Fe, Co, Ni and Ru, and of {Mn(η-C5H4Me)2} are reported; both He(I) and He(II) spectra of some decamethylmetallocenes {M(η-C5Me5)2}, where M Mg, V, Cr, Mn, Fe, Co and Ni, are also given. Intensity changes between the He(I) and He(II) spectra are shown to provide a reliable guide to band assignment. A ligand field treatment of the decamethylmanganocene cation, including limited configuration interaction, gives values for Δ2, B and C; these values are also in good agreement with the photoelectron spectra of {M(η-C5Me5)2} where M V, Cr and Fe. Overlap between the ligand and metal “d” band structures prevents complete assignment in the cases of Co and Ni. |
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| Keywords: | Author to whom correspondence should be addressed |
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