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lingzi326

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[ Last edited by lingzi326 on 2008-12-28 at 23:08 ]
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【学科领域】晶体计算

【文献题目】Effect of temperature on the local angular thermal expansion and local structure for nickel-doped zinc fluosilicate

【期刊来源】Chemical Physics Letters  Volume 467, Issues 1-3, 15 December 2008, Pages 170-175

【作者或课题组】Kuang Xiao-Yu

【发表时间】2008年10月

【内容简介】Previously published electron paramagnetic resonance (EPR) data for Ni2+(3d7) in hydrated and deuterated crystals of zinc and nickel fluosilicate have been re-analyzed to separate the static and dynamic contributions to the fine-structure (or axial zero-field-splitting) term D in the spin-Hamiltonian. While the Debye parameters of ZnSiF6·6H2O and ZnSiF6·6D2O were determined in an earlier low-temperature study1, those of the undiluted nickel crystals, for which good data between 4 and 77 K is lacking, have been estimated here by comparison of the data above 60 K with those for the corresponding zinc compounds. The numerical results indicate that the measured values of D are composed of a negative dynamical contribution produced by the rotational motions of the water ligands, together with both negative and positive static contributions produced by the water ligands, and the more distant [SiF6]2− and [Ni.6H2O]2+ complexes, respectively. A point-charge calculation shows the contribution of the latter to be roughly +2.5 cm−1 in NiSiF6·6H2O. The exceptionally large temperature variations of D in these crystals is attributed to the near-cancellation of the positive and negative static contributions, leaving the effect of the dynamical contribution dominant.


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9楼2009-01-02 22:01:02
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lingzi326

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【学科领域】生物无机化学
【文献题目】Highly Sensitive and Selective Colorimetric Sensors for Uranyl (UO2 2+): Development and Comparison of Labeled and Label-Free DNAzyme-Gold Nanoparticle Systems
【期刊来源】J. AM. CHEM. SOC.
【作者或课题组】Yi Lu
【发表时间】 2008, 130, 14217–14226

[ Last edited by lingzi326 on 2008-12-27 at 23:09 ]
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2楼2008-12-27 14:23:31
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lingzi326

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【学科领域】晶体
【文献题目】Polymorphism of a Simple Organic Amide
【期刊来源】Cryst. Growth Des.
【作者或课题组】Melanie R. Hauser,† Lev Zhakarov,† Kenneth M. Doxsee,*,† and Tonglei Li‡
【发表时间】2008
【内容简介】
Glycolanilide (2-hydroxy-N-phenylacetamide), a simple amide, may be reproducibly crystallized in either of two
polymorphic forms. The crystal and molecular structures of each polymorph have been determined, revealing that the two polymorphs
differ in the extent and arrangement of intermolecular hydrogen bonding. The more stable polymorph displays one-dimensional
chains linked through hydrogen bonds between the amide carbonyl and the R-hydroxyl group. In the metastable polymorph, analogous
chain structures are overlain with cyclic hydrogen-bonded amide dimers, with an additional set of hydrogen bonding contacts joining
the chain and cyclic motifs.
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3楼2008-12-28 23:12:05
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xxiaojjie

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【学科领域】
【文献题目】Rational Design of Macrometallocyclic Trinuclear Complexes
                  with Superior ð-Acidity and ð-Basicity
【期刊来源】J. AM. CHEM. SOC.
【作者或课题组】Sammer M. Tekarli, Thomas R. Cundari,* and Mohammad A. Omary*
【发表时间】2008, 130, 1669-1675

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个人觉得很不错,值得研究
4楼2008-12-29 10:54:17
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