Simulation of the experimental crystal field splitting pattern of a mono tetrahydrofuran adduct derived from tris(bis(trimethylsilyl)amido) neodymium (III)

被引:16
作者
Jank, S [1 ]
Reddmann, H [1 ]
Amberger, HD [1 ]
机构
[1] Univ Hamburg, Inst Anorgan & Angew Chem, D-20146 Hamburg, Germany
来源
RARE EARTHS '98 | 1999年 / 315-3卷
关键词
neodymium; bis(trimethylsilyl)amido ligand; absorption spectra; crystal field analysis; molecular orbital schemes;
D O I
10.4028/www.scientific.net/MSF.315-317.457
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The absorption spectra of a mono tetrahydrofuran adduct derived from tris(bis(trimethylsilyl)amido)neodymium(III) have been recorded at room and at low temperatures. From the spectra obtained a truncated crystal field splitting pattern is derived, and simulated by fitting the free parameters of an empirical Hamiltonian. For 76 assignments a reduced r.m.s. deviation of 26.5 cm(-1) is achieved. The parameters derived allow the construction of experimentally-based non-relativistic and relativistic molecular orbital schemes in the f range.
引用
收藏
页码:457 / 464
页数:8
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