ELECTRONIC-STRUCTURES OF HIGHLY SYMMETRICAL COMPOUNDS OF F-ELEMENTS -XXXI - SIMULATION OF THE CRYSTAL-FIELD SPLITTING PATTERN OF (THF)(3)LI(MU-CL)ND[N(SIME3)(2)](3)

Citation
S. Jank et al., ELECTRONIC-STRUCTURES OF HIGHLY SYMMETRICAL COMPOUNDS OF F-ELEMENTS -XXXI - SIMULATION OF THE CRYSTAL-FIELD SPLITTING PATTERN OF (THF)(3)LI(MU-CL)ND[N(SIME3)(2)](3), Journal of alloys and compounds, 277, 1998, pp. 318-322
Citations number
15
Categorie Soggetti
Chemistry Physical","Metallurgy & Metallurigical Engineering","Material Science
ISSN journal
09258388
Volume
277
Year of publication
1998
Pages
318 - 322
Database
ISI
SICI code
0925-8388(1998)277:<318:EOHSCO>2.0.ZU;2-O
Abstract
The absorption spectra of an unoriented single crystal of the title co mpound (1) have been measured at room and at low temperatures. Assumin g a similar sequence of crystal field (CF) levels as for the previousl y analyzed Nd[N(SiMe3)(2)](3) (2) a truncated CF splitting pattern is derived from the spectra obtained. The parameters of an empirical Hami ltonian are fitted to the energies of 71 levels to give an r.m.s. devi ation of 24.2 cm(-1). The parameters obtained are compared with those of 2 and Nd[N(SiMe3)(2)](3)(CNC6H11)(2) (3). The observed trends of CF parameters are consistent with the results of simple model calculatio ns in the framework of the angular overlap model. (C) 1998 Elsevier Sc ience S.A.