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)
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
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.