表面等离极化激元对电荷输运影响的自洽场理论研究Ⅱ——MIM体系分子轨道场的计算与分析

采用自洽场方法计算MIM体系在电场作用下分子场系数、态密度和局域电子态密度的变化.结果表明，分子场系数分布呈现弦函数形式；随电场增大，能带向深能量延伸并且能级峰间分离的更明显，以及构成电流通道的3d_m群原子轨道交叠态的重叠量增大，提高 了电荷输运的能力.该分析为探讨SPP对电荷输运影响的建立奠定了基础. 关键词： 分子轨道场系数 电流通道 态密度 局域电子态密度     

Aromaticity of N-heterocyclic carbene and its analogues: Magnetically induced ring current perspective

The N-heterocyclic carbene, imidazole-2-ylidene, and its main group (13-15) analogues contain cyclically conjugated 6π electrons. Experimental ¹H nuclear magnetic resonance (NMR) spectra suggest an increase in aromaticity along a period from left to right. Whereas the order along a group is as follows: period 2 > period 5 > period 4 > period 3 due to change in structure. To understand the order of aromaticity, the magnetically induced ring currents of the molecules are calculated using aromatic ring current shielding, gauge-including magnetically induced currents (GIMIC) method and Stanger's σ-model applying the gauge-including atomic orbitals NMR technique. It is found that GIMIC best describes the order of aromaticity especially along a group where current-profile changes on the bivalent atom down a group due to change in electron density. Moreover, the GIMIC provides the visualization of current by sign modulus and the anisotropy of the induced current density plots.     

Synthesis and conformational analysis of naphth[1′,2′:5,6][1,3]oxazino[3,2-c][1,3]benzoxazine and naphth[1′,2′:5,6][1,3]oxazino[3,4-c][1,3]benzoxazine derivatives

A new functional group, the hydroxy group, was inserted into a Betti base by reaction with salicylaldehyde, and the naphthoxazine derivatives thus obtained were converted by ring-closure reactions with formaldehyde, acetaldehyde, propionaldehyde or phosgene to the corresponding naphth[1′2′:5,6][1,3]oxazino[3,2-c][1,3]benzoxazine derivatives. Further, the conformational analysis of these polycyclic compounds by NMR spectroscopy and an accompanying molecular modelling are reported; especially, both quantitative anisotropic ring current effects of the aromatic moieties in these compounds and steric substituent effects were employed to determine the stereochemistry of the naphthoxazinobenzoxazine derivatives.     

基于跨导放大器的电流模式积分单元的设计

在集成电路系统中,各种模拟功能的电流单元都是由基本的电流模单元组成。跨导放大器是电流模电路的基本单元。基于跨导放大器的电流模积分器可以实现电流到电流的积分转换。同时可应用于各种集成滤波电路的设计。在此采用0．18ptmCMOS仿真工艺,使用共源共栅结构设计一款供电电压为1．8V的高增益低功耗的跨导放大器,采用具有PTAT基准电流源的偏置电路,使用HSpice进行优化设计,并将此放大器应用于电流模式积分单元的电路仿真。     

双包层手征光纤的色散特性

在对双包层手征光纤(W型)进行解析求解的基础上，用数值计算方法研究了纤芯和内外包层的手征参数和内包层厚度对模式色散特性的影响，给出了双包层手征光纤中基模的归一化传播常数b、群延迟d(Vb)／dV和波导色散Vd2(V6)／dV2随纤芯和内外包层的手征参数和内包层厚度的变化关系曲线。结果表明在双包层光纤的纤芯和内外包层中引入手征，可以极大地改变光纤中基模的色散特性，特别是内包层厚度不同时，色散特性也极为不同．     

数字电路中电源电压瞬间下降的成因及改进

通过分析数字集成芯片多输出中电源电压瞬间下降的原因,对常规驱动电路结构进行改进。改进后单输出电路的峰值电流降为原来的2/3,再通过优化版图的电源布线,能有效防止电源电压下降,使芯片正常稳定地工作。     

Use of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate in countercurrent chromatography

Room temperature ionic liquids (RTIL) are molten salts that are liquids at room temperature. Their liquid state makes them possible candidates as solvents in countercurrent chromatography (CCC), which uses solvents as both the mobile and stationary phases. The study focuses on 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM PF₆), an easy to synthesize and purify RTIL whose melting point is –8°C. It is shown that BMIM PF₆ behaves like a solvent of significant polarity (comparable with that of ethanol). The ternary phase diagram water–acetonitrile–BMIM PF₆ is given, because it was necessary to add acetonitrile to reduce the ionic liquid viscosity. The 40:20:40% w/w water–acetonitrile–BMIM PF₆ biphasic liquid system was found to be appropriate as a biphasic liquid system for CCC. Different aromatic solutes, including bases, acids, and neutral compounds, were injected into the CCC column to estimate their distribution constants between the ionic liquid-rich phase and the aqueous phase. The resulting K_il/w constants were compared with the corresponding literature octanol–water partition coefficients, K_o/w. The important drawbacks in the use of RTIL in CCC are clearly pointed out: high viscosity producing pressure build-up, UV absorbance limiting the use of the convenient UV detector, and non-volatility precluding the use of the evaporative light-scattering detector for continuous detection.     

介质对配合物稳定性的影响——Ⅱ.Cu(SCN)+—NaNO3—二氧六环—水体系

本文用分光光度法确定了25℃时配阳离子Cu(SCN)~+在NaNO_3—二氧六环—H_2O介质中的稳定常数。溶剂组成变化范围为0,5,10,15和20wt％二氧六环,离子强度范围为0.2～3.0moledm~(-3),溶液的pH=1.5～1.6。本文提出了基于Pitzer方程式的最小二乘多项式逼近法,确定出各种不同组成混合溶剂中配合物的热力学稳定常数。讨论了该常数和一级介质效应与溶剂组成和介电常数的关系。     

发光二极管负电容与角频率的关系

利用正向交流(AC)小信号方法对发光二极管(LED)的电容-电压特性进行测量,可以观察到发光二极管中的负电容现象.提出了测量到的负电容现象是表象,不存在负电容;发光二极管p-n结的结电容在特定的正向电压范围内等效于可变电容.分析可变电容对交流小信号响应得到:特定参数的可变电容使电流的相位移相π,使得在测量中表现为负电容;得到了发光二极管负电容与角频率的关系表达式.     

基于MOCCCII的双模式二阶通用滤波器

提出了一种基于多输出端口电流控制电流传输器(MOCCCII,multiple outputs current controlled conveyor)的双模式二阶通用滤波器,该滤波器结构简单,仅由5个有源器件、2个接地电容构成, 无须外接电阻.该电路在不改变内部电路结构的情况下能实现电压模式和电流模式滤波器,且每一种工作模式都能实现高通、低通、带通等多种滤波功能,因此该电路具有通用性.面向实际电路完成了PSPICE仿真,结果表明提出的电路正确有效.