Er^3+水合物及二(2-乙基己基)膦酸配合物超灵敏吸收光谱指认

对Er^3+水合离子及二(2-乙基己基)膦酸(HDEHP)配合物的可能结构计算了理论超灵敏吸收光谱,与实验比较,给出了大部分实验谱峰的理论归属.通过晶场能级的分裂及能级间跃迁强度,对实验谱峰的成因进行了分析.结果表明,在Er^3+水合离子中, f^n组态谱项的晶场分裂小,能级简并度低,可以发生的跃迁波长比较集中,谱峰没有明显分裂;而在Er^3+的HDEHP配合物中, Er^3+与内层配位原子作用较强,占有的对称性较高,晶场分裂显著,能级简并度上升,造成谱峰的明显分裂.各个振动模式对各个谱峰的产生有不同的贡献.

Assignments of the hypersensitive absorption spectra of erbium hydrate and erbium bis (2-ethylhexyl)phosphinate complex

The hypersensitive spectra of [Er(H2O)8]3+and [Er(HL2)3] (HL=(2-ethylhexyl)phosphinic acid) based on possible model structures were calculated By comparison of the former with corresponding experimental data the assignments to most of the experimental bands were given. The origin of experimental peaks were analyzed through the crystal field splitting of energy levels and the transition strength between different energy levels. The bands didn't split apparently in the spectrum of [Er(H2O)83+ because of relative small crystal field splitting, low degeneracy and narrow range of transition savelength. In the case of [Er(HL2)3], the spectra band splits into several sep. sep. peaks because of relative strong crystal field effects, high symmetry of the inner coordination sphere, high energy degeneracy, and distributed range of transition wavelength.