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- W2037685083 abstract "In this paper the electronic structure of cobaltocene has been studied using the LCAO HFS method. Satisfactory assignments of the experimental ultraviolet photoelectron and optical absorption spectra are presented together with a detailed description of the bonding. The σ, π and δ components of the metal-ring bond have been considered separately. A quantitative analysis of the energetic contributions of these components to the total bond strength supports the common view that the π contribution is dominant. The dissociation energy of cobaltocene in Co and two Cp rings, as well as the heat of atomisation of Cp, the electron affinity of Cp and the ionisation energies of Co are reported and compared to experiment. The optimised metal-ring distance is in good agreement with experiment." @default.
- W2037685083 created "2016-06-24" @default.
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- W2037685083 date "1981-11-01" @default.
- W2037685083 modified "2023-10-18" @default.
- W2037685083 title "An LCAO HFS investigation of the electronic structure of cobaltocene" @default.
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- W2037685083 doi "https://doi.org/10.1016/0301-0104(81)85135-x" @default.
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