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题名: Structure and bonding in some Gd(III) metal complexes studied by three-dimensional X-ray analysis and Gd-155 Mossbauer spectroscopy
作者: Wang Junhu1;  Masashi, Takahashi2;  Takafunmi, Kitazawa2;  Masuo, Takeda2
关键词: Gd(III) metal complex ;  crystal structure ;  bonding ;  Gd-155 Mossbauer spectroscopy ;  three-dimensional X-ray analysis ;  covalent contribution ;  rare earths
刊名: JOURNAL OF RARE EARTHS
发表日期: 2007-12-01
卷: 25, 期:6, 页:647-653
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Applied
研究领域[WOS]: Chemistry
英文摘要: Some functional lanthanide metal complexes, such as acetylacetonato complexes, ethylenediaminetetraacetato complexes, were successfully applied for diagnostic technique. The authors are interested in investigating the structure and bonding in lanthanide and actinide metal complexes Using Er-166, Gd-155, and Np-217 Mossbauer spectroscopies in connection with single-crystal and/or powder X-ray diffraction, making clear the differences on their structures as well as the differences in the participation of 4f and 5f orbitals in the chemical bonds. In this article, the crystal structures of two novel Gd(III) acetylacetonato complexes, Gd(pta)(3) center dot 2H(2)O (pta = 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione) and Gd(bfa)(3) center dot 2H(2)O (bfa = 1, 1, 1 -trifluoro-4-phenyl-2-4-butanedione) were reported. Though both of them were dihydrate and had distorted square antiprismatical structure, Gd(pta)(3) center dot 2H(2)O crystallizes in the P 2(1)/n (#14) monoclinic space group and its lattice parameters are a = 1.4141(6) rim, b = 1.0708(3) nm, c =2.2344(4) nm, beta =95.24(2)degrees , and Gd(bfa)(3) center dot 2H(2)O crystallizes in P 2,2,2, orthorhombic space group and its lattice parameters were a = 1.322(l) rim, b = 2.295 (1) rim, c = 1.0786(8) nm. In the meantime, the authors had finished a systematic investigation on the Gd-155 Mossbauer isomer shift (delta) of various Gd(III) metal complexes having a different coordination number (C.N.) and different ratios coordinating oxygen to nitrogen. A tendency for the 8 value to decrease with an increase in the C.N, and the number of the nitrogen atom coordinating to Gd was confirmed. This indicated that the Gd-O and/or Gd-N bond in the investigated Gd(M) metal complexes had a small covalent contribution, which was possible to be deduced from the O and/or N atoms of the ligands donating electrons to 6s, 5d, and 4f orbitals of Gd.
关键词[WOS]: CRYSTAL-STRUCTURE ;  ISOMER-SHIFTS ;  GADOLINIUM ;  PRASEODYMIUM ;  SPECTRA
语种: 英语
WOS记录号: WOS:000252410000001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140413
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
2.Toho Univ, Fac Sci, Dept Chem, Chiba 2748510, Japan

Recommended Citation:
Wang Junhu,Masashi, Takahashi,Takafunmi, Kitazawa,et al. Structure and bonding in some Gd(III) metal complexes studied by three-dimensional X-ray analysis and Gd-155 Mossbauer spectroscopy[J]. JOURNAL OF RARE EARTHS,2007,25(6):647-653.
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