A theoretical study of the ion pair SN2 reaction between lithium isocyanates with methyl fluoride with inversion and retention mechanism

This paper is devoted to a detailed theoretical study of an ion pair S_N2 reaction LiNCO+CH₃F in the gas phase and in solution at the level of MP2(full)/6-31+G**//HF/6-31+G**. Two possible reaction mechanisms, inversion and retention, are discussed. There are eight possible reaction pathways. The inversion mechanism is more favorable no matter in the gas phase or in solution based on analyses of the transition structures. Methyl isocyanate should form preferentially in the gas phase and more stable methyl cyanate is the main product in solution. The retardation of the reaction in solvents was attributed to the difference in solvation in the separated reactants and in the transition state.     

前缘弯掠斜流转子叶顶间隙流动特性数值分析

本文对前缘弯掠斜流转子叶顶间隙内的流动特性进行了数值分析。结果表明:叶顶间隙气流与主流发生卷吸而生成泄漏涡。泄漏涡作用的区域具有较低的压力分布。在叶片通道内,泄漏涡沿着与转子旋向相反的方向朝相邻叶片的压力面移动。大间隙时的泄漏涡比小间隙时强烈。低流量时泄漏涡的作用区域比高流量时大。在各种流量特性下,叶顶尾缘近吸力面区域都存在着二次间隙流。     

“神龙一号”注入器研制

“神龙一号”注入器是直线感应加速器的束流源，它采用了感应叠加的高压加载方式，包括脉冲功率系统、感应腔、阴阳极杆、绝缘支撑、二极管和束流传输系统等子系统. 在研制中采用了径向绝缘支撑、对中支撑调节系统、类Pierce阴极等先进技术，以及二极管线圈内置和外径为800mm的铁氧体大环等创新. 参数测试显示，3.5MeV注入器达到了世界先进水平.     

Interpretation and quality of the tilted axis cranking approximation

Comparing with the exact solutions of the model system of one and two particles coupled to an axial rotor, the quality of the semi classical tilted axis cranking approximation is investigated. Extensive comparisons of the energies and M1 and E2 transition probabilities are carried out for the lowest bands. Very good agreement is found, except near band crossings. Various recipes to take into account finite K within the frame of the usual principal axis cranking are included into the comparison. A set of rules is suggested that permits to construct the excited bands from the cranking configurations, avoiding spurious states.     

相对论平均场理论中各种有效相互作用对中子星性质的影响

基于相对论平均场理论，研究了各种相互作用参数组(NL1、NL3、NLSH、TM1和GL-97)对中子星物质的性质和中子星整体结构的影响．发现参数组NL1、NL3和NLSH所给出的中子星内部的介子场强度、物质的组成比例、物态方程和中子星的整体特点基本相同，但与TM1和GL-97之间有较大的差别．相对于其他参数组，GL-97给出的介子场强度最弱，中子星的相对数密度最大，物态方程也最软，同时采用GL-97参数组计算的中子星的最大质量也最小．     

车前子中多糖含量的测定

采用蒽酮-硫酸法比色测定，用精制车前子多糖测得车前子多糖对葡萄糖的换算因子，对我国同属不同品种的车前子不同采集时间及炮制前后其多糖含量进行了比较研究。结果表明：此测定方法简便可行。供试液在8h内显色稳定，重现性较好，平均回收率为97．8％，RSD=1．41％(n=5)。江西吉安产大粒车前子生品多糖含量在9．15％～9．83％之间，炮制后其多糖含量在6．29％～6.81％之间；南昌新祺周车前GAP标准基地的大粒车前子生品多糖含量为7.85％～8．38％，炮制后其多糖含量为6．01％～6．64％；东北产的小粒车前子生品多糖含量为6．61％，炮制后其多糖含量为6．45％。     

磺酸系双子表面活性剂的合成与分离

用两步法与正交试验得出磺酸系双子表面活性剂合成的优化条件.通过重结晶对中间体和最终产品进行分离提纯.分离出中间体α-磺酸月桂酸(简称α-SLA),测得其熔点为49～50℃,在生物显微镜下观察为透明片状晶体,由红外光谱认证结构.合成并分离出目标产品--聚乙二醇(α-磺酸盐)月桂酸单、双酯(简称α-SLPM和α-SLPD),其中后者为磺酸系双子表面活性剂.红外光谱认证,二者熔点测定值均在300℃以上.     

Mid-infrared generation based on a periodically poled LiNbO3 optical parametric oscillator

We report a nanosecond Nd:YVO_4-pumped optical parametric oscillator (OPO) based on periodically poled LiNbO_3 (PPLN). Tuning is achieved in this experiment by varying the temperature and period of the PPLN. The design of double-pass singly resonant oscillator (DSRO) and confocal cavity enables the OPO threshold to be lowered considerably, resulting in a simple, compact, all-solid-state configuration with the mid-infrared idler powers of up to 466mW at 3.41μm.     

半导体激光器发射光谱实验仪

设计了一种半导体激光器发射光谱实验仪 ,可以用来观测LD发射的荧光光谱、激光光谱 ,以及了解光栅外腔选取单纵模、压窄线宽、波长调谐的机理 .该实验仪结构紧凑 ,物理概念清晰 ,适用于大专院校的光学实验教学     

2,9-disubstituted 1,10-phenanthroline nickel complexes: Syntheses,characterization, and their ethylene oligomerization

Nickel complexes 1–4 ligated with 2,9-disubstituted-1,10-phenanthroline were synthesized and characterized by FT-IR spectra and elemental analysis. The molecular structure of complex 2 was confirmed by X-ray crystal diffraction analysis. Activated with methylaluminoxane (MAO), those complexes showed moderate activities for ethylene oligomerization. Published in Kinetika i Kataliz, 2007, Vol. 48, No. 5, pp. 710–714. This article was submitted by the authors in English.