A Large Conformational Change of a Bridged b-Cyclodextrin Dimer in Aqueous Solution

As artificial enzymes, the binding constants of cyclodextrins (CDs) and their substrates are expected to be high1. For this purpose, many kinds of bridged cyclodextrin dimers2 whose two cyclodextrins are linked by various spacers have been constructed. It was of interest to make the dimers, whose binding constants would exceed 108dm3/mol3. Up to date, the bridged cyclodextrin dimers have been extensively studied as enzyme models and as molecular receptors4-6. Recently, we synthesized a brid…     

129Xe30+轰击Ni表面激发靶原子偶极跃迁和禁戒 (M1和E2)跃迁的特征光谱线

报道了用高电荷态离子129Xe30+(150keV) 轰击金属Ni表面，激发的200—1000nm NiⅠ和NiⅡ的特征光谱线的实验结果.实验结果表明：用电荷态足够高的离子作光谱 激发源，无需很强的束流强度（nA量级），便可有效地产生原子和离子的复杂组态间跃迁所 形成的可见光波段的特征谱线，特别是NiⅠ和NiⅡ偶极禁戒的电四极跃迁E2和磁偶极跃迁M1 的特征光谱线.通过分析发现，在禁戒跃迁的谱线中，有些是电子组态相同而原子态不同的 偶极禁戒跃迁光谱线而且NiⅡ的684.84nm谱线较强. 关键词： 光谱 禁戒跃迁 电子组态 高电荷态离子     

Reversible nonlinear conduction in high‐density polyethylene/acetylene carbon black composites at various ambient temperatures

The reversible nonlinear conduction (RNC) in of high‐density polyethylene/acetylene carbon black composites with different degrees of crosslinking was studied above room temperature and below the melting point of high‐density polyethylene (HDPE). The experimental current density‐electric field strength curves can be overlapped onto a master curve, suggesting that the microscopic mechanisms for the appearance of RNC exist regardless of the ambient temperature and the crosslinking degree of the HDPE matrix. The relationship between the crossover current density and the linear conductivity can be explained in the framework of the dynamic random‐resistor‐network model. According to these results, two electron‐tunneling models are suggested to interpret the microscopic conduction behavior. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 1212–1217, 2004     

Synthesis and characterization of polyaniline/graphite conducting nanocomposites

A new method for the synthesis of exfoliated graphite and polyaniline (PANI)/graphite nanocomposites was developed. Exfoliated graphite nanosheets were prepared through the microwave irradiation and sonication of synthesized expandable graphite. The nanocomposites were fabricated via the in situ polymerization of the monomer at the presence of graphite nanosheets. The as-synthesized graphite nanosheets and PANI/graphite nanocomposite materials were characterized with Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, and thermogravimetric analysis (TGA). The conductivity of the PANI/graphite nanocomposites was dramatically increased over that of pure PANI. TGA indicated that the incorporation of graphite greatly improved the thermal stability of PANI. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 1972–1978, 2004     

A Quantum Chemical Study on Recognition of Nitro-phenols by Calix[n]arenes

A PM3 calculation in vacuum of the inclusion complexation ofo-, m-, p-nitro-phenol with calix[n]arenes is performedsuccessfully. The pathways for inclusion process are describedand the most probable structures of the 1:1 complex are soughtthrough a potential energy scan. The energy differences betweenthe inclusion complexes and the hosts, by calculation, show thatthe most stable complexation is calix[4]-p-nitro phenol andcalix[6]-m-nitro phenol.     

Relationship between the dynamic softening transition and wet sliding friction of elastomer compounds

For properly chosen elastomer compounds, thermorheological characterization is combined with an examination of the variation of the wet sliding friction with temperature. A conceptual argument leads to the assumption that the wet sliding friction should maximize at the energy dissipation peak associated with the dynamic softening transition at a characteristic frequency determined by the sliding speed and the effective smallest surface asperity scale. The dynamic softening transition is characterized with the peak in tan δ/G′ⁿ, where tan δ is the loss tangent, G′ is the elastic modulus, and n is a constant between 0 and 1. The William–Landel–Ferry transform is uncritically applied for extrapolating the position of the peak in tan δ/G′ⁿ at high frequencies. Even based on the criterion of tan δ, the results obtained on a concrete surface indicate that the effective smallest asperity scale is of order of 100 μm. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 2467–2478, 2004     

Zn(BTZ)2白色有机电致发光材料的合成及其器件制备

以PCl₃为脱水剂,将邻氨基硫酚与水杨酸脱水环化合成出2-(2-羟基苯基)苯并噻唑,并进一步将所得产物与乙酸锌反应合成出2-(2-羟基苯基)苯并噻唑螯合锌(Zn(BTZ)₂)材料。以该配合物作为发光层制备出结构为ITO/PVK:TPD/Zn(BTZ)₂/Al近白色电致发光器件,其色坐标位于白场之内(x=0.242,y=0.359),在驱动电压为16V时,亮度达3200cdm²,对应的量子效率为0.32%。进一步在Zn(BTZ)₂中掺入橙红色染料Rubrene,制成ITO/PVK:TPD/Zn(BTZ)₂:Rubrene/Al结构器件,实现了纯白色发光(色坐标值:x=0.324,y=0.343),非常接近于白色等能点,且量子效率达0.47%。最后对上述器件的发光和电学性能进行了深入的研究和探讨。     

ns脉冲激光对K9玻璃的破坏实验

 采用高速PIN光电探测器和高带宽的数字存储示波器，实时检测透射光脉冲和散射光脉冲的变化特征，并将之用作材料破坏的光学判据，测量得到K9玻璃在1.06μm纳秒脉冲激光作用下的能量损伤阈值约18mJ，相应的能量密度阈值为1.0kJ/cm²。通过分析透射光脉冲和散射光脉冲的特征，给出了材料的破坏时刻，并推断出K9玻璃所能承受的极限光强为10¹⁵W/m²。研究了能量透过率与泵浦能量的关系，并初步探讨了透明材料的破坏机理。结果表明：在多纵模激光的作用下，透明光学材料破坏是电离击穿与自聚焦效应综合作用的结果。     

连续照明时成像对比度与气象条件的关系

 通过同轴激光连续照明成像模型分析了大气后向散射对成像对比度的影响，得出了考虑散射因素时成像对比度的计算公式。基于不同气象条件下大气粒子散射特点，讨论了霾和雾两种不同天气时成像对比度随照明距离的变化规律，并与实验结果进行了对比，计算结果与实验吻合较好。     

Theoretical Study on the Long-lived Complexes for the Na＋I2 Collision System

For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.