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Zur Elektronenstruktur hochsymmetrischer Verbindungen der f‐Elemente. 40. Parametrische Analyse des Kristallfeld‐Aufspaltungsmusters von Tris(hydrotris(1‐pyrazolyl)borato)neodym(III)

2006; Wiley; Volume: 632; Issue: 8-9 Linguagem: Inglês

10.1002/zaac.200600056

1521-3749

Hauke Reddmann, Christos Apostolidis, Olaf Walter, H.‐D. Amberger,

Organometallic Complex Synthesis and Catalysis

Abstract Electronic Structures of Highly Symmetrical Compounds of f Elements. 40. Parametric Analysis of the Crystal Field Splitting Pattern of Tris(hydrotris(1‐pyrazolyl)borato)neodymium(III) The absorption spectrum of tris(hydrotris(1‐pyrazolyl)borato)neodymium(III) (NdTp 3 ) was run at room and low temperatures. From the spectra obtained, a truncated crystal field (CF) splitting pattern could be derived, and simulated by fitting the free parameters of a phenomenological Hamiltonian achieving an r.m.s. deviation of 11.0 cm −1 for 48 assignments. The parameters used allow the estimation of the ligand field strength experienced by the Nd 3+ central ion, the insertion of the Tp ligand into empirical nephelauxetic and relativistic nephelauxetic series, and the set‐up of experimentally based nonrelativistic molecular orbital schemes in the f range.