β-二酮Gd(Ⅲ)配合物EPR谱解析及其零场分裂张量的计算

波谱学杂志 ›› 1999, Vol. 16 ›› Issue (1): 58-63.

β-二酮Gd(Ⅲ)配合物EPR谱解析及其零场分裂张量的计算

卢加春^1,2, 成义祥¹, 徐端钧¹, 徐元植¹

1 浙江大学化学系, 杭州 310027;
2 西北核技术研究所, 西安 710024

收稿日期:1998-08-10 修回日期:1998-10-03 出版日期:1999-02-05 发布日期:2018-01-11
作者简介:卢加春,男,1961年出生,副研究员,博士生,西北核技术研究所

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

Lu Jiachun^1,2, Cheng Yixiang¹, Xu Duanjun¹, Xu Yuanzhi¹

1 Department of Chemistry, Zhejiang University, Hangzhou 310027;
2 Northwest Institute of Nuclear Technology, Xi'an 710024

Received:1998-08-10 Revised:1998-10-03 Online:1999-02-05 Published:2018-01-11

摘要/Abstract

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,得到了满意的结果.

关键词: 稀土Gd(Ⅲ), β-二酮配合物, EPR波谱, 零场分裂张量

Abstract: The electronic configuration of Gd(Ⅲ) is 4f⁷. 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.

Key words: Gd(Ⅲ), β-diketone complexes, EPR spectrum, Zero-field splitting tensors

卢加春, 成义祥, 徐端钧, 徐元植. β-二酮Gd(Ⅲ)配合物EPR谱解析及其零场分裂张量的计算[J]. 波谱学杂志, 1999, 16(1): 58-63.

Lu Jiachun, Cheng Yixiang, Xu Duanjun, Xu Yuanzhi. ANALYSIS FOR EPR SPECTRA OF Gd(Ⅲ) β DIKETONE COMPLEXES AND CALCULATION OF THEIR ZERO FIELD SPLITTING[J]. Chinese Journal of Magnetic Resonance, 1999, 16(1): 58-63.

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