用二维复式晶格有限集团模型计算聚乙炔的电子结构

以二维复式晶格作为有限系统的集团模型,在紧束缚近似下,计算了π电子在最近邻及次近邻跳跃集团的态密度.讨论了不同结构参数对态密度及带宽的影响.     

Monte Carlo simulations on magnetic behavior of a spin-chain system in triangular lattice doped with antiferromagnetic bonds

A three-dimensional Ising-like model doped with anti-ferromagnetic (AFM) bonds is proposed to investigate the magnetic properties of a doped triangular spin-chain system by using a Monte-Carlo simulation. The simulated results indicate that a steplike magnetization behavior is very sensitive to the concentration of AFM bonds. A low concentration of AFM bonds can suppress the stepwise behavior considerably, in accordance with doping experiments on Ca₃Co₂O₆. The analysis of spin snapshots demonstrates that the AFM bond doping not only breaks the ferromagnetic ordered linear spin chains along the hexagonal c-axis but also has a great influence upon the spin configuration in the ab-plane.      

A study of the polymerization of styrene initiated by K-THF-GIC system

In this paper, the polymerization of styrene initiated by potassium (K)-tetrahydrofuran (THF)-graphite intercalation compound (GIC) (K-THF-GIC) was studied. The mechanism of the polymerization was determined to be anionic polymerization according to its characteristics. The effect of the concentration of the initiator and monomer was studied. It was found that the polymerization mainly occurred on the surface and edge of the intercalated graphite. It was also shown that the polarity of solvent has little effect on the polymerization yield in this system.     

液相色谱法测定地质样品中的芳香化合物

发展了用液相色谱法检测地质样品中芳香化合物的方法。对观察到的色谱峰进行了定性分析，了该法对油气地球化学勘探的意义。     

稀土铽配合物的有机发光二极管

有机小分子和有机高分子的发光二极管在可见光区内有非常高的量子效率，因而受到人们的高度重视．采用二胶（TPD），8羟基喹啉铝（Alq3）等有机小分子作为空穴和电子输运层所作的发光二极管[1]的量子效率可达10％，采用聚对苯乙炔（PPV）高分子聚合物作空穴输运层，有机小分子2     

芳烃金属配合物在有机合成中的应用

本文讨论了芳烃金属配合物中的芳香部份在与金属配合后性质上的变化,以及这些变化后的性质在有机合成中的应用。     

（±）—Salvinolone的全合成研究

以２－（３，４－环己基类二氧－５－异丙基）苯基乙醇（２）和３－异丙氧基－５，５－二甲基－１，３－环己烯酮（４）为原料，利用羰基α－位的烷基化反应和分子内的Ｆｒｉｅｄｅｌ－Ｃａｒｆｔｓ反应为关键步骤，经９步反应，合成了多氧芳香型三环二萜类天然产物Ｓａｌｖｉｎｏｌｏｎｅ。     

杂氮硅三环成环反应的研究

本文报导了与硅原子直接相连的有机基团(R)对杂氮硅三环成环速率的影响。利用气相色谱检测成环反应的产物之一——乙醇的生成速率和数量,并同与硅相连的R基团对成环反应速率的影响作比较。实验结果表明五种杂氮硅三环成环速度顺序为Cl_2CH—>ClCH_2—>ClCH_2CH_2CH_2—>CH_2=CH—>CH_3—,这与理论推断相符。     

Catalytic nitrobenzene oxidation of lignins

Alkaline nitrobenzene oxidation of hardwood and softwood lignins in the presence of redox and phase-transfer catalysts was studied. The selectivity of oxidation of lignins increased by 1.7 to 1.9 times. A possible mechanism of catalysis is discussed.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 3004–3007, December, 1996.     

有机钛氢化物的化学

本文综述了有机钛氢化物化学的最近进展,包括:合成方法,反应及其在有机合成中的应用。