具有Lindqvist结构的[Mo6O19]2-化合物及其二钨取代物的电子性质和稳定性的理论研究

采用密度泛函理论研究了具有Lindqvist结构的[Mo6O19]2-及其两个钨原子取代化合物的电子性质和稳定性, 计算得到的几何数据和实验值符合得很好. 从Mulliken电荷分布、键能大小以及轨道性质的分析可以得出结论, 当两个钨原子在邻位取代钼原子时所得到的取代产物([4,5-W2Mo4O19]2-)比当两个钨原子在对位取代钼原子时所得到的产物([4,6-W2Mo4O19]2-)更稳定, 而[4,5-W2Mo4O19]2-的反应活性比[4,6-W2Mo4O19]2-的大.     

Metal coordination architectures of N-propionyl-1-hydroxy-2-naphthoylhydrazide: From metalladiazamacrocycles to trinuclear complexes

Two metalladiazamacrocycles, 24-membered octanuclear [Mn₈(pnhz)₈(DMF)₅(MeOH)₃]2DMF 3.5MeOH (1) and 18‐membered hexanuclear [Fe₆(pnhz)₆(DMF)₆] (2), and two linear trinuclear complexes, [Cu₃(pnhz)₂(Py)₆] 2Py (3) and [Ni₃(pnhz)₂(Py)₄] (4), have been synthesized based on a trianionic pentadentate bridging ligand N-propionyl-1-hydroxy-2-naphthoylhydrazide (H₃pnhz). The complexes are characterized by elemental analysis, IR, UV-vis spectroscopy and single-crystal X-ray diffraction. The nature of metal ions and steric effect of N-propionyl-1-hydroxy-2-naphthoylhydrazide ligand play key roles in the formation of complexes with different nuclearity. Complexes 1, 2 and 3 exhibit antiferromagnetic coupling interactions between the metal centers.     

具有表面活性ATRP引发剂的合成及其在无皂乳液聚合中的应用

以2-溴异丁酰溴、1,2-乙二醇、1,6-己二醇、顺丁烯二酸酐为主要原料,通过三步反应合成了具有阴离子表面活性的原子转移自由基聚合(ATRP)引发剂——4-[2-(2-溴-2-甲基丙酰氧基)乙氧基]-4-氧代-2-磺酸基丁酸二钠(1a)和4-[6-(2-溴-2-甲基丙酰氧基)己氧基]-4-氧代-2-磺酸基丁酸二钠(1b),其结构经1HNMR,IR和元素分析表征。用1引发无皂乳液聚合,研究结果表明反应是活性自由基乳液聚合,所得乳液非常稳定。     

Preparation and photocatalytic activity of cuprous oxides

Cuprous oxide (Cu₂O) nanoparticles and microcubes have been successfully fabricated by reduce of CuSO₄ using ascorbic acid at room temperature. The as-synthesized products were easily separation and purification, because there were no template or surfactant has been introduced. All of the samples were characterized by X-ray powder diffractometer (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectrometer (FTIR) and ultraviolet and visible light spectrometer (UV–vis). The microscale Cu₂O samples exhibited a high catalytic activity on photodegradation of methyl orange by visible light. It was found that Cu₂O microcubes have higher photocatalytic activity and the photocatalytic degradation ratio of methyl orange reached to 98.1%.     

中国股市跨行业动量效应和反转效应研究

动量效应和反转效应是两种重要的金融异象,质疑了有效市场假说。本文以2000～2009年的A股上市公司为研究样本,采用不同的形成期搭配不同的持有期下的投资策略考察了中国股市跨行业动量效应和反转效应。研究结论表明:在沪深A股市场,按下游行业收益率排序的零投资策略主要表现为动量效应,按上游行业收益率排序的零投资策略主要表现为反转效应。从短期来看,跨行业动量或反转效应普遍不显著。持有期中长时,结果的显著性明显提高。跨行业动量或反转效应通过CAPM、Fama-French、Carhart模型调整后仍然显著。     

Palladium-catalyzed atom transfer radical cyclization of unactivated alkyl iodide

A palladium-catalyzed atom transfer cyclization of unactivated alkyl iodide has been developed. A radical chain mechanism has been proposed for this transformation, which might not involve an alkylpalladium intermediate.     

用新公式研究K2分子部分电子态的离解能

本文使用孙卫国等人提出的基于微扰理论的代数方法（AM）,研究了碱金属K₂分子的五个电子态X¹∑_g⁺、a³∑_u⁺、O_g^-、B¹∏_u和3³∏_g的离解能;然后使用作者最近提出的新公式计算了这些电子态的离解能,并分别与实验值进行了比较.计算结果表明:使用新公式得到的分子离解能与实验值非常吻合.而对那些还没有离解能实验数据的电子态,该公式提供了一种推测其离解能的理论计算方法.     

复合应力下泡沫铝屈服行为实验研究

 采用ARCAN双轴加载装置和材料实验机（INSTRON 5544）,对相对密度为8.5%的闭孔泡沫铝（Alporas）进行了不同应变率下的双轴加载实验。在宏观等效应变率为7.0×10^-3~1.0×10^-1 s^-1范围内测得实验屈服面,并与泡沫金属的3种屈服准则进行了比较。比较结果表明：在主应力空间下,实验屈服面与Miller和Deshpande-Fleck屈服准则吻合较好,Gibson屈服准则过小估计了测试泡沫铝的实验屈服面;被测泡沫铝的实验屈服面在宏观等效应变率7.0×10^-3~1.0×10^-1 s^-1范围内对应变率不敏感。     

Optical filter based on internal reflection and optical rotatory dispersion of NaBrO3 crystal

Based on the optical rotatory dispersion and zero reflection of the p-polarization light at the Brewsterangle, a novel optical filter that employs only one NaBrO3 crystal and one polarizer are proposed and demonstrated. Performance of the optical filter is studied both theoretically and experimentally. Results show that the green light is becomes nearly extinct when the angles of the polarizer are set at 80° and 260°, whereas the red light becomes nearly extinct when the angles of the polarizer are set at 116°and296°. Isolation of more than 8 dB can be achieved. The measured extinction ratios are 12.3 and 12.6 dBfor green and red lights, respectively.