一种星型有机低聚物的合成及光电性能

通过多步反应合成了一种新型的具有“双极(bipolar)”性质和发光性能的以N原子为中心的星型有机小分子低聚物——三(4-(5-(4-(5-(4-(二苯胺基)苯基)-1,3,4-噁二唑-2)苯基)-1,3,4-噁二唑-2)苯基)胺. 用¹H NMR, MS和元素分析进行了表征, 研究了化合物的热稳定性和固体粉末的光致发光性质, 并用循环伏安法测定了其电化学性能. 结果表明, 这种合成的同时具备空穴传导和电子输入双重功能基团的星型有机小分子光致发光性能优良(量子效率92%), 热稳定性好, 可以作为制作有机电致发光器件的候选材料.     

三种新的铕(Ⅲ)三元配合物的合成及发光性质研究

合成了吡嗪[2,3-f] 并邻菲罗啉及其一系列衍生物,作为第二配体,并以二苯甲酰甲烷为第一配体,合成了3种新的铕(Ⅲ)三元配合物.通过元素分析、红外光谱、核磁共振光谱确定了它们的组成,研究了三种配合物的热稳定性、成膜性能和光致发光性能(发光强度、荧光量子效率和寿命),并初步从理论上探讨含有不同基团的第二配体的结构对铕(Ⅲ)配合物发光的影响,结果表明:这三种铕(Ⅲ)三元配合物均为优良的红色发光材料,而且在真空条件下均形成均衡的薄膜,这为以这三种铕(Ⅲ)配合物作为发光层材料制作有机电致发光器件提供了认识基础.     

新型p型板单元及其在结构振动分析中的应用

利用Legendre正交多项式作为形函数基底函数,开发了两种新型的通用p型板单元.单元矩阵的解析积分保证了p型有限单元解的精确性及单调收敛性,计算实例表明所开发的p型有限单元计算结果随基底函数中附加项数量的增加而快速收敛,且它们的计算精度远高于一般线性单元.另外,p型板单元不使用缩减积分也能分析薄板的振动问题,利用它们收敛率高的特点,分析了结构破坏的时频特性.p型有限单元仿真结果与实测结果良好的吻合证明了它们用于结构振动响应分析的有效性.     

Characterization of partially transesterified poly(beta-hydroxyalkanoate)s using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS) was used for the characterization of a partially transesterified poly(beta-hydroxyalkanoate), PHA, polymer produced by the bacterial strain Alcaligenes eutrophus using saponified vegetable oils as the sole carbon sources. The transesterification was carried out separately under acidic and basic conditions to obtain PHA oligomers weighing less than 10 kDa. The intact oligomers were detected in their cationized [M + Na](+) and [M + K](+) forms by MALDI-TOFMS. A composition analysis, using the MALDI-TOF spectra, indicate that the oligomers obtained via acid catalysis were terminated with a methyl 3-hydroxybutyrate end group, and those obtained by base catalysis had a methyl crotonate (olefinic) termination. In addition to HB (hydroxy butyrate), the oligomers were found to contain a small percentage of HV (hydroxy valerate). This was independently confirmed using gas chromatography/mass spectrometry (GC/MS). In comparison, the analysis of a commercial PHA polymer, transesterified under identical conditions, only showed the presence of HB, i.e. a pure PHB homopolymer. Copyright 1999 John Wiley & Sons, Ltd.     

More efficient Brownian dynamics algorithms

We examine the relative efficiencies of three- algorithms for performing Brownian Dynamics simulations without many-body hydrodynamics. We compare the conventional Brownian Dynamics algorithm of Ermak (CBD), Smart Monte Carlo (SMC) which incorporates Boltzmann sampling into essentially a CBD procedure, and the Stochastic Runge Kutta (SRK) method. We show, using the repulsive potential φ(r) = ε(σ/r) ⁿ , where n = 36 and 72, that the SRK algorithm gives the most accurate short-time dynamics for the mean-square displacements. The SRK algorithm static and dynamical properties converge better with a reducing time step to the exact values, than those generated by the CBD algorithm; giving efficiency gains typically of a factor of 3–4. Both CBD and SMC have the incorrect sign for the first correction term to the mean square displacement in a time step, whereas the SRK algorithm gives essentially the exact solution to order Δt ², where Δt is the simulation time step. In fact, these correction terms are almost equal and opposite in sign. Expressions for these terms were derived in terms of the average interaction energy per particle. The force, shear and bulk stress autocorrelation functions were calculated. The average energy per particle and time correlation functions at short time have values in excess of the exact values, while the corresponding quantities for SRK are below this. This difference in behaviour can be traced back to the extent of compliance of the particle trajectories with the exact expansion of the Smoluchowski equation. The accuracy, at a given value of the time step, of the stochastic algorithms can significantly depend on the form of the interaction potential between particles. It is also demonstrated that the long time limits of various correlation functions are fairly insensitive to a particular scheme (SRK or CBD) used in the simulations. All the correlation functions have a stretched exponential region at intermediate to long times, and the values of the exponents on density and force law steepness have been determined.     

FULLERENE POLYMERS WITH TUNABLE OPTICAL PROPERTIES

Light transmission spectra of THF solutions of poly (C_(60)-co-methyl methacrylate)s andpoly (C_(60)-co-styrene)s continuously red-shift with increasing concentration. Formation offullerene nanoclusters may be responsible for the unusual spectral shift with concentration.It has long been scientists' dream to "tune" material's properties by simple means, and theC_(60)-containing polymers represent such a group of novel materials whose optical propertiesare predictably and reversibly tunable by a simple change in concentration.     

两种新型双极有机小分子发光材料的合成与发光

设计和合成了两种新的具有“双极(bipolar)”性质和发光性能的有机小分子化合物N-[4-(5-(2-苯基喹啉-4)-1,3,4-噁二唑-2)苯基]-N'-苯基-N,N'-二苯基-1,1'-联苯基-4,4'-二胺(TPDOPQ)和N,N'-双{4-[5-(2-苯基喹啉-4-基)-1,3,4-噁二唑-2]苯基}-N,N'-二苯基-1,1'-联苯基-4,4'-二胺[TPD(OPQ)₂]. 用¹H NMR, MS和元素分析进行了表征, 研究了化合物的热稳定性和光致发光性质, 并用循环伏安法测定了其电化学性能. 结果表明, 这两种合成的有机化合物同时具备空穴传导和电子输入双重功能, 光致发光性能优良, 热稳定性好, 能形成均衡薄膜, 因此可作为制作有机电致发光器件的候选材料.     

含芳胺和1,3,4-噁二唑的星型有机分子合成及光电性质

通过分子设计, 采用多步反应合成了2种新型的具有“双极”(Bipolar)性质和发光性能的以N原子为中心的星型有机分子. 用1H NMR, MS和元素分析进行了表征, 研究了化合物的热稳定性和固体粉末的光致发光性质, 并用循环伏安法测定了其电化学性能. 结果表明, 这种同时具备空穴传导和电子输入双重功能基团的星型有机小分子的光致发光性能优良(量子效率达到82%—95%), 热稳定性好, 可以作为有机电致发光器件材料.     

异质预期条件下房价波动非线性延滞差分方程

通过建立蛛网模型分析经济变动对具有后向预期性质的房地产市场的价格波动的影响.其中,市场需求函数采用简单使用者成本模型,而供给函数则以存量-流量模型为基础.通过建立一组n阶延滞差分方程来分析一类异质后向预期房价波动模型的性质,例如均衡或振荡,收敛或偏离等.结果显示需求弹性小于供给弹性并不是形成振荡的必要条件.房价的波动会随着异质后向预期假设以及其他内生因素的不同而产生本质不同的变化.