C2（a 3Πu）+NO 的反应机理研究

在G2 (CC ,MP2 )理论水平上研究了C2 (a3 Πu)自由基与NO分子的反应 .计算了反应体系最低二重态势能面上各驻点的构型参数、振动频率和能量 ,揭示了此反应存在两种反应机理 :由NO中的O原子进攻C2 自由基形成CCON中间体的CCON机理和NO中的N进攻C2 自由基形成CCNO中间体的CCNO机理 ,分析了对应与这两种反应机理的五个可能的反应通道 ,得出了由NO中的N原子进攻3 C2 自由基 ,生成中间体CCNO自由基 ,最终得到产物CN +CO的通道是最有利的通道 .     

依托度酸哌嗪盐的制备及其性能表征

制备了依托度酸和哌嗪的有机盐,并得到了其晶体结构。 结构解析结果表明,依托度酸羧基上的氢转移到哌嗪的氮原子上,N—H••••O氢键是维持结构稳定的主要分子间相互作用。 与原药相比,新合成的盐的本征溶出速率和平衡溶解度分别提高了2.1倍和4.8倍。 此外,新合成的盐具有良好的水合稳定性,在25 ℃,相对湿度95%的条件下暴露28 d未发生相变。作为依托度酸的第一个有机盐,该盐是依托度酸有前景的固体存在形式。     

套管外压挤毁强度分析与计算

在对大量的套管全尺寸挤毁试验结果分析的基础上，提出套管外压失稳机理：实际工程中的套管截面不是理想圆，在外压作用下的非圆套管圆周方向上环向应力分布不均匀，有附加弯矩效应；随外压增加，在最大压缩环向应力处达到屈服；当屈服逸到一定程度时，材料由于强度承载力不足而失效，导致套管发生失稳挤毁。基于上述套管强度挤毁准则，分析了理想弹塑性套管在轴向载荷作用下的抗挤强度计算方法，得到较保守的套管挤毁压力计算公式。与试验结果对比表明：导出的计算公式偏差较小，计算精度满足工程要求，失稳强度准则是适用的。     

Ortho-Alkoxy-benzamide Directed Formation of a Single Crystalline Hydrogen-bonded Crosslinked Organic Framework and Its Boron Trifluoride Uptake and Catalysis

Boron trifluoride (BF₃) is a highly corrosive gas widely used in industry. Confining BF₃ in porous materials ensures safe and convenient handling and prevents its degradation. Hence, it is highly desired to develop porous materials with high adsorption capacity, high stability, and resistance to BF₃ corrosion. Herein, we designed and synthesized a Lewis basic single-crystalline hydrogen-bond crosslinked organic framework (H_COF-50) for BF₃ storage and its application in catalysis. Specifically, we introduced self-complementary ortho-alkoxy-benzamide hydrogen-bonding moieties to direct the formation of highly organized hydrogen-bonded networks, which were subsequently photo-crosslinked to generate H_COFs. The H_COF-50 features Lewis basic thioether linkages and electron-rich pore surfaces for BF₃ uptake. As a result, H_COF-50 shows a record-high 14.2 mmol/g BF₃ uptake capacity. The BF₃ uptake in H_COF-50 is reversible, leading to the slow release of BF₃. We leveraged this property to reduce the undesirable chain transfer and termination in the cationic polymerization of vinyl ethers. Polymers with higher molecular weights and lower polydispersity were generated compared to those synthesized using BF₃ ⋅ Et₂O. The elucidation of the structure–property relationship, as provided by the single-crystal X-ray structures, combined with the high BF₃ uptake capacity and controlled sorption, highlights the molecular understanding of framework-guest interactions in addressing contemporary challenges.     

色散平坦渐减光纤中色散特性对超连续谱的影响

从频域全场方程出发研究了色散平坦渐减光纤中超连续谱(SC)的产生。结果表明,色散平坦渐减光纤的初始色散和色散斜率对超连续谱的产生有重要影响,当超连续谱宽度小于某一特定阈值时,谱宽随初始色散或色散斜率显著变化;而当超连续谱谱宽大于此值以后,谱宽随这两个参量的变化较缓慢。并且发现色散递减曲线为凸型的光纤比色散线性递减的光纤更有利于产生宽的超连续谱;而色散递减曲线为凹型的光纤不利于形成宽的超连续谱。计算表明经过优化选择光纤的色散参量,可以得到谱宽达330nm的超连续谱。     

在LEPⅡ及NLC能量下e~＋e~－→b_b~－Z~0和t_t~－Z~0过程中Higgs粒子的观测效应

根据最小标准模型及双Ｈｉｇｇｓ二重态的扩展标准模型理论，计算了ＬＥＰⅡ以及ＮＬＣ能量下ｅ＋ｅ－→ｂＺ０和ｔＺ０的总截面和微分截面以探求Ｈｉｇｇｓ粒子的观测效应．我们发现，只要Ｈｉｇｇｓ粒子的质量ＭＨ≤１４０ＧｅＶ，对ｅ＋ｅ－→ｂＺ０的测量就能清楚地提供Ｈｉｇｇｓ粒子的信息．然而对ｅ＋ｅ－→ｔＺ０，不论Ｈｉｇｇｓ粒子是轻或重，它的效应都被淹没在弱电过程的本底中，没有观测的可能．     

补偿法测电阻实验设计

本文就设计性实验课《补偿法测电阻》的实验设计进行了讨论。     

Sol-Gel技术制备二阶有机/无机复合非线性光学材料的研究进展

溶胶－凝胶技术是制备材料的一种新兴低温工艺，它为两种完全不相容的成份—聚合物材料和无机玻璃的大比例混合（或键合）创造了可能，使得制备出的材料兼备两种成份的优点。本文综述了近年来溶胶－凝胶技术在制备有机／无机复合非线性光学材料领域中的应用，并简要分析了当前研究工作所面临的问题。     

PHOTOREDUCTION OF ALKYL VIOLOGENS AND POLYVlOLOGENS IN 2-PROPANOL AQUEOUS SOLUTION

In order to study the effect ofalkyl chain length and the polymer effect on the photoreduction behavior of some viologens, a series of alkyl viologen, polyviologen and bisviologen compounds have been synthesized. In the presence of excess 2-propanol, the initial photoreduction of alkyl viologens and polyviologens follow the peudo--seeond--order reaction, the calculated rate constants are related to the alkyl chain length: In addition, the intramoleeular association of radical cations of polyviologens has been found even in dilute solution. However the extent of association is varied with the aikyl chain length. The observed polymer effect of polyviologens in the photoreduetion is significant which can be explained in terms of the nature of second order reaction.