s+id波高温超导体的单根涡旋线结构

用松弛叠代法数值求解了在s+id混合波对称性考虑下的Ginzburg-Landau方程，得到s+id高温超导体单根涡旋线的结构，并研究了其随温度磁场变化的特性.同时，也计算了在该考虑下的上临界场H_c2的曲线，相应的数值结果与实验结果定性一致. 关键词：     

A Novel Organic—Inorganic Complex：Synthesis and Crystal Structure of [Ca（DMSO）5（H2O）]2 SiMo12O40

It is becoming a focus to synthesize and assemble organic-inorganic materials, especially, to synthesize charge-transfer complexes formed by polyoxometalate and organic donors. They have attracted much attention because such complexes are active in their electric, magnetic and optic properties1-4, many investigations about them have been done and some crystal structures of them were reported5-6. But, the disadvantage of these crystals is instability at room temperature. According to the view…     

A Novel Green Preparation of a, a''''-Bis (substituted benzylidene)-cycloalkanones Promoted by FeCl_3 6H-2O in Ionic Liquid

a, a'-Bis(substituted benzylidene)cycloalkanones were efficiently prepared from cycloalkanones and benzaldehydes in [bmim][BF4] by using iron(III) chloride hexahydrate as a catalyst. It is shown that [bmim][BF4] and iron(III) chloride hexahydrate can be quantitatively recovered and be reused effectively for many times. Compared with the known methods, this novel process has the advantage of being an envkonmentally benign process together with good yields and mild reaction conditions.     

La2Zr2O7催化剂结构相变对甲烷氧化偶联反应性能的影响

采用共沉淀法并通过改变焙烧温度制备了一系列具有不同晶相结构的La₂Zr₂O₇催化剂，在微型固定床反应器上评价其甲烷氧化偶联反应性能，并利用XRD、Raman、CO₂-TPD、XPS等表征手段，探究催化剂的物相结构、表面碱性以及表面氧物种的变化规律。结果表明，随着焙烧温度从700℃逐渐升高到1200℃，La₂Zr₂O₇催化剂结晶度不断提高，晶相发生明显变化，从无定形结构逐渐向缺陷萤石结构过渡，最终转变成烧绿石结构。焙烧温度提高促使La₂Zr₂O₇晶相转变过程中，催化剂表面的碱性强度减弱，中等碱性位数量以及具有催化活性的表面氧物种O₂^2-和O₂^-的相对含量不断减少，致使催化剂的CH₄转化率和C₂₊选择性不断降低。其中，无定形LZO-CP-700催化剂表现出最佳的甲烷氧化偶联反应性能。     

Studies of a new series of ion-pair complexes [Mo(dtc)_4][Ln(dtc)_4] (Ln=La-Er,exp.Pm)

A new series of ion-pair complexes [Mo(dtc)4][Ln(dtc)4] (Ln=La-Er, exp. Pm) were synthesized from MoCl5, LnCl3 and Nadtc in anhydrous methanol. The crystal structures of the four complexes, [Mo(dtc)4][Ln(dtc)4] (Ln=Nd, Sm, Ho and Er) have been determined by X-ray diffraction. Spectroscopic properties of all these complexes are also discussed here.     

镧系离子与L-羟脯氨酸、DL-瓜氨酸配位作用研究

稀土与体内广泛存在的生物配体氨基酸的配位作用，尤其是三元体系的研究对于阐明稀土元素在体内的存在形态及探索稀土生物效应具有重要意义．羟脯氨酸和瓜氨酸均是人体中存在的重要氨基酸，它们在人体血浆中的浓度与必需的氨基酸相近［‘j．稀土与氨基酸配位作用的研究已有较多报道「’‘，但模拟生理条件下稀土离子与羟脯氨酸、瓜氨酸的二元、三元配合物的PH电位法研究尚未见报道．本文报道在模拟生理条件下（37C，0·15mol／LNaCI）湖系离子（Pm和Lu除外）与上述2种氨基酸的二元及三元配合物PH电位法研究结果．1实验部分1．1试剂和仪…     

蝎型钒氧配合物的合成、结构及量子化学研究

设计合成了两种新型的以聚类吡唑硼酸盐为配体的钒氧配合物VO(acac)[HB(pz)3](1)和VO(acac)[HB(3,5-Me2pz)3]·CH3CN(2). 运用元素分析、 红外光谱和紫外光谱对所合成的配合物进行了表征, 并用X射线衍射测定了它们的晶体结构. 同时, 采用量子化学的Hartree Fock方法和自然轨道分析方法(NBO), 使用3-21G*(6d, 7f)基组计算得到了两个分子体系的分子轨道、原子电荷以及键级, 并对其结构进行了分析.     

TiO(2) porous electrodes with hierarchical branched inner channels for charge transport in viscous electrolytes.

Titanium dioxide (TiO(2)) photoelectrodes with micro/nano hierarchical branched inner channels have been prepared by an electrohydrodynamic (EHD) technique and assembled to form dye-sensitized solar cells (DSSCs). Excellent penetration of ionic-liquid electrolytes and enhanced light harvesting in the longer wavelength region are realized within the composite-structure electrode, thus a better fill factor (ff) of 75.3 % and higher conversion efficiency (eta) of 7.1 % are obtained for viscous ionic-liquid electrolytes compared to pure nanostructured films. Hierarchical branched channels in the photoanodes can efficiently improve the transport properties of redox-active species in viscous electrolytes, which is demonstrated by electrical impedance spectroscopy (EIS). The incident monochromatic photon-to-electron conversion efficiency (IPCE) shows that enhanced light scattering in the composite film is of benefit for light harvesting and thus for solar energy conversion efficiency.     

TEM investigation of formation mechanism of monocrystal-thick b-oriented pure silica zeolite MFI film

The first direct transmission electron microscopic (TEM) observation has been carried out on the continuous monocrystal-thick b-oriented pure silica zeolite MFI films produced by in situ crystallization. The self-supporting film samples for TEM study were fabricated by dissolving the steel substrate with acid. This TEM study is free of those artifacts that are typically associated with TEM sample preparations, and allows us to investigate the "true" structure and texture of a very large area of the film and at the same time to focus at will on each individual zeolite crystal in the film. Abundant TEM information including crystallographic orientation relationships among crystals in the film (both out-of-plane and in-plane), grain boundaries, and each crystal grain was obtained. This TEM investigation provides direct unambiguous new evidence to support the homogeneous nucleation mechanism, by which the films form through homogeneous nucleation and crystal growth in the bulk to form equal-sized disk-shape crystals, followed by self-assembly of these crystals onto the substrate to produce a two-dimensional close-packed structure. The last stage of the film formation involves simultaneous space-limited growth and rotation of the individual crystals to realize the in-plane crystallographic control within the film.     

Ligand Exchange Between Penta-Coordinated Phosphoryl Serine and Histidine Compounds

With the assistance of HPLC-ESI-MS/MS, the self-assembly products of serine and histidine penta-coordinated phosphorus compound were separated and identified. The expectative product was seryl-histidine dipeptide, but it was found that there was almost equimolar amount of histidyl-histidine dipeptide as well as seryl-histidine dipeptide. The mechanism was speculated that there was iigand exchange between penta-coordinated phosphoryl serine and histidine in the reaction process. As a result,two types of dipeptide were produced.