β-二酮Gd(Ⅲ)配合物EPR谱解析及其零场分裂张量的计算  

ANALYSIS FOR EPR SPECTRA OF Gd(Ⅲ) β DIKETONE COMPLEXES AND CALCULATION OF THEIR ZERO FIELD SPLITTING

作　　者：卢加春[1,2] 成义祥[1,2] 徐端钧[1,2] 徐元植[1,2] 

机构地区：[1]浙江大学化学系 [2]西北核技术研究所

出　　处：《波谱学杂志》1999年第1期59-64,共6页Chinese Journal of Magnetic Resonance

摘　　要：稀土Ｇｄ（Ⅲ）的电子组态为４ｆ７，七个未偶电子之间较强的自旋自旋相互作用，以致于ＥＰＲ波谱相互重叠呈一条简单的包络线，几乎得不出有用的信息，限制了ＥＰＲ波谱在这一领域中的应用．本文用自编的一个模拟程序，先是对包络线进行分解剥离，确定各谱峰的ｇ值．然后用自编的另一个程序根据所得之ｇ值计算出零场分裂张量Ｄ和Ｅ．对五个不同的β二酮类Ｇｄ（Ⅲ）配合物进行了解析和计算。The electronic configuration of Gd(Ⅲ) is 4f 7. Stronger Spin Spin interaction existing between 7 unpair electrons, bring about the EPR spectra overlap mutually, and results an envelope line. Useful information could not obtain practically, and limited the EPR spectra application to this field. Using a simulation program resolve out each spectrum and determine their g values from envelope line at first, then using another program calculated the Zero field Splitting Tensors D and E according to above obtained g value, were reported in this paper. These two programs are edited by ourselves. Applied to analysis of EPR spectra of 5 Gd(Ⅲ) different β diketone complexes, calculated their Zero field Splitting Tensors D and E , satisfactory results were obtained.

关 键 词：稀土Gd(Ⅲ) β-二酮配合物 EPR波谱 零场分裂张量 

分 类 号：O614.39[理学—无机化学]