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Inne
Electronic structures of organometallic complexes of f elements. 62 [1] Parametric analysis of the crystal field splitting pattern of pseudo trigonal planar Nd(η5-C5Me4H)3.
Autorzy
Rok wydania
2006
Czasopismo
Zeitschrift für Anorganische und Allgemeine Chemie
Numer woluminu
632
Strony
1953-1955
DOI
10.1002/zaac.200600146
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The absorption spectrum of pseudo (Ψ) trigonal planar Nd(η5-C5Me4H)3 (1) has been measured at room and low temperatures. From the spectra obtained, a truncated crystal field (CF) splitting pattern could be derived, and simulated by fitting the parameters of a phenomenological Hamiltonian. For 38 assignments, a reduced r.m.s. deviation of 30.7 cm−1 was achieved. On the basis of the CF parameters used, the global CF strength experienced by the Nd3+ central ion is estimated. The obtained Slater parameter F2 and the spin-orbit coupling parameter ξ4f allow the insertion of compound 1 into truncated nephelauxetic and relativistic nephelauxetic series. Besides, the experimentally based non-relativistic molecular orbital scheme (in the f range) of complex 1 is set up and compared with the results of an SW-Xα calculation on the fictive trigonal planar model complex NdCp3.
Adres publiczny
https://doi.org/10.1002/zaac.200600146
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