Rotational spectra, conformational structures, and dipole moments of thiodiglycol by jet-cooled FTMW and ab initio calculations

The rotational spectra of three low-energy conformers of thiodiglycol (TDG) (HOCH₂CH₂SCH₂CH₂OH) have been measured in a molecular beam using a pulsed-nozzle Fourier-transform microwave spectrometer. To determine the likely conformational structures with ab initio approach, conformational structures of 2-(ethylthio)ethanol (HOEES) (CH₃CH₂SCH₂CH₂OH) were used as starting points together with the consideration of possible intramolecular hydrogen bonding in TDG. Three lower-energy conformers have been found for TDG at the MP2=Full/6311G** level and ab initio results agree nicely with experimentally determined rotational constants. In addition, Stark measurements were performed for two of the three conformers for dipole moment determinations, adding to our confidence of the conformational structure matches between experimental observations and ab initio calculations. Of the three lower-energy conformers, one displays a compact folded-like structure with strong hydrogen bonding between the two hydroxyl groups and the central sulfide atom. Two other conformers have relatively open chain-like structures with hydrogen bonding between each of the hydroxyl groups to the central sulfur atom, of which one has pure b-type dipole moment according to the ab initio results.     

Monte Carlo ray-tracing simulation for radiative heat transfer in turbulent fluctuating media under the optically thin fluctuation approximation

The Monte Carlo ray-tracing method (MCRT) based on the concept of radiation distribution factor is extended to solve radiative heat transfer problem in turbulent fluctuating media under the optically thin fluctuation approximation. A one-dimensional non-scattering turbulent fluctuating media is considered, in which the mean temperature and absorption coefficient distribution are assumed and the shape of probability density function is given. The distribution of the time-averaged volume radiation heat source is solved by MCRT and direct integration method. It is shown that the results of MCRT based on the concept of radiation distribution factor agree with these of integration solution very well, but results of MCRT based on the concept of radiative transfer coefficient do not agree with these of integration solution. The solution of time-averaged radiative transfer equation by the concept of radiative transfer coefficient should be treated with caution.     

Focused ion beam Moiré method

A focused ion beam (FIB) Moiré method is proposed to measure the in-plane deformation of object in a micrometer scale. The FIB Moiré is generated by the interference between a prepared specimen grating and FIB raster scan lines. The principle of the FIB Moiré is described. The sensitivity and accuracy of deformation measurement are discussed in detail. Several specimen gratings with 0.14 and 0.20 μm spacing are used to generate FIB Moiré patterns. The FIB Moiré method is successfully used to measure the residual deformation in a micro-electro-mechanical system structure after removing the SiO₂ sacrificial layer with a 5000 lines/mm grating. The results demonstrate the feasibility of this method.     

质子化丙酮分子团簇的结构和振动光谱

用密度泛函B3LYP/ 6 3 1G(d)方法 ,对质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)弱相互作用体系进行了全自由度能量梯度优化 ,得到了该系列团簇的稳定结构及其对应的体系能量 .通过对构型的分析得出了质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)的生长规律 .计算了中性丙酮分子团簇体系的质子亲合能并总结出其变化趋势 .分析讨论了质子化团簇的红外振动光谱 ,发现质子化团簇的振动光谱普遍较中性环型团簇的振动光谱复杂 ,最强的振动峰来源于质子在溶剂壳中两个氧原子之间的振动 ,而且随着团簇尺寸的增加羰基的伸缩振动峰的数目也随之增多     

An Improved Synthesis of Retinoic Acid from β-Ionone

A convenient and large-scale preparation of retinoic acid 1 from β-ionone in five steps with 38% overall yield is described.The key steps are the epoxidization of 2 with a new methylated agent and the condensation 4 with tetraethyl methylenediphophonate in one-pot procedure to prepare 6.     

Bi12TiO20纳米粉体的制备及其光吸收特性研究

以钛酸四丁酯和硝酸铋为原料 ,利用化学溶液分解法制备了Bi12 TiO2 0 纳米多晶粉体 .采用XRD和TEM对其结构和形貌进行了表征 .结合热重 差热 (TG DTA)分析 ,探讨了Bi12 TiO2 0 晶相的形成机理 .通过UV Vis漫反射谱的测定 ,研究了Bi12 TiO2 0 纳米晶粉体的光吸收特性 .结果显示 ,从组成为化学计量比的前驱液中可以很容易制得纯Bi12 TiO2 0 纳米晶粉体 ,该Bi12 TiO2 0 纳米晶粉体呈现了在很宽的波长范围内 (5 6 0～ 385nm )对光的吸收的特性 .     

Measured equation of invariance with linear tensor relation for three-dimensional scattering problems

The postulate of a linear tensor relation in the measured equation of invariance (MEI) is proposed for three-dimensional (3D) problems. As a result, all three components of the field vector to be solved are coupled in the MEI. Combined with the finite difference method, the present method is applied to the analysis of scattering by 3D conducting objects and results in a significant improvement in the accuracy of numerical results as compared to those obtained with an uncoupled linear relation.     

基于非锐化掩模的实时自适应图像增强算法

针对传统的非锐化掩模算法的局限性,依据图像中各像素点及以其为中心的若干相邻像素点的均方差值,提出了自适应图像增强算法的原理,并分析其硬件实现方法,然后给出了该算法与其它算法应用于图像增强的对比结果,最后在FPGA（field programmable gate array）实验板上进行验证.实验结果表明,此算法有效的增强图像的细节区域,防止图像边缘区域出现过冲现象,抑制图像平坦区域的噪声放大.因此,该算法取得了良好的视觉效果,硬件实现简单,适合于实时条件下图像的增强.     

Complex amplitude estimation in the known steering matrix and generalized waveform case

We consider a special growth-curve (SGC) model with a known steering matrix and generalized waveform in the presence of unknown interference and noise. Several estimators of the complex amplitude based on this model are derived, including the methods of approximate maximum likelihood (AML), minimum variance distortionless response (MVDR), and amplitude and phase estimation (APES). We analyze the statistical properties of these estimators and show that in the presence of temporally white but spatially correlated noise and interference, AML is asymptotically statistically efficient for a large snapshot number while MVDR and APES are asymptotically equivalent but not statistically efficient. Via several numerical examples, we also show that when the noise and interference are both spatially and temporally correlated, the APES estimator can achieve better estimation accuracy and exhibit greater robustness than the other methods.     

无线光接入技术

无线光通信系统以其高带宽、低成本和安装迅捷等优势成为非常有竞争力的光接入新技术。对无线光通信系统的关键技术、主要优势和存在的问题及国内外相关产品的发展状况和主要特点进行了论述和介绍。