The electronic structure of organometallic complexes of the f elements. XIII. Comparison of the empirical and predicted crystalfield parameters of a cyclohexylisocyanide adduct derived from tris(η5-cyclopentadienyl)Praseodymium(III)
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Add time:07/17/2019 Source:sciencedirect.com
The previously derived crystal-field splitting pattern of a cyclohexylisocyanide adduct of tris(η5-cyclopentadienyl)-praseodymium(III) has been fitted to the parameters of a semi-empirical Hamiltonian with an r.m.s. deviation of 31.7 cm−1 for 44 levels. The crystal-field parameters obtained are compared with those predicted on the basis of the electrostatic point charge model and the angular overlap model, respectively.
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