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• W2047445076 abstract "Evidence is presented of significant covalency in the ytterbium 4f shell of tris-cyclopentadienyl ytterbium (YbCp(3)) in its electronic ground state, that can be represented by the superposition of an ionic configuration Yb(III):4f(13)(Cp(3)) and a charge-transfer configuration Yb(II):4f(14)(Cp(3))(-1). The relative weights of these configurations were determined from (i) the difference in their 4f photoionization cross sections, (ii) the accumulation of spin-density centered on the (13)C atoms of the Cp ring, as measured by a pulsed EPR (HYSCORE) experiment, (iii) the reduction in the spin-density in the 4f shell, manifest in the (171)Yb hyperfine interaction, and (iv) the principal values of the g-tensor, obtained from the EPR spectrum of a frozen glass solution at 5.4 K. Each of these methods finds that the spin density attributable to the charge transfer configuration is in the range 12-17%. The presence of configuration interaction (CI) also accounts for the highly anomalous energies, intensities, and vibronic structure in the f-f region of the optical spectrum, as well as the strict adherence of the magnetic susceptibility to the Curie law in the range 30-300 K." @default.
• W2047445076 created "2016-06-24" @default.
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• W2047445076 date "2011-11-28" @default.
• W2047445076 modified "2023-10-09" @default.
• W2047445076 title "Covalency in the 4f Shell of <i>tris</i>-Cyclopentadienyl Ytterbium (YbCp₃)—A Spectroscopic Evaluation" @default.
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• W2047445076 doi "https://doi.org/10.1021/ja209311g" @default.
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