异丙醇的O-H伸缩振动泛频光谱和分子构像

使用高灵敏的光腔衰范光谱（Ｃａｕｉｔｙ Ｒｉｎｇ Ｄｏｗｎ Ｓｐｅｃｔｒｏｓｃｏｐｙ）技术测出了异丙醇的Ｏ－Ｈ伸缩ｖ＝４、５振动泛频光谱,每个技动能级都有三个吸收峰,被归属为分子构像的Ｏ－Ｈ伸缩泛叔汲收,给出了光腔衰范光谱的振动泛频吸收的振动谱强度公式,并求得分子不同构在不同振动能级的Ｏ－Ｈ伸缩局域模振子的机械频率（Ｘ１）、非谐性（Ｘ２）以及解离能（Ｄ）,用浓度泛函（ＤＦＴ）Ｂ３ＬＹＰ／６－３１＋     

六亚甲基桥连的希夫碱及其锰（Ⅲ）络合物催化剂的红外光谱研究

研究了六亚甲基桥连的希夫碱及其锰（Ⅲ）络合物催化剂的红外光谱，对一些主要谱带进行了经验归属。配体的分子内氢键谱带出现在～３４３８ｃｍ－１（以ＬＨ为例），νＣ＝Ｎ谱带在～１６３０ｃｍ－１（以ＣＨ为例，下同），苯的特征谱带在～１５９８，～１４６９和～７５５ｃｍ－１，νＭｎ—Ｎ为主的复合振动在～３６９ｃｍ－１，δＭｎ—Ｎ为主的复合振动在～２４７ｃｍ－１，νＭｎ—Ｏ为主的复合振动在～３２９ｃｍ－１，δＭｎ—Ｏ为主的复合振动在～２７５ｃｍ－１，νＭｎ—Ｃｌ特征谱带在～３０３ｃｍ－１。与苯基锰（Ⅲ）卟啉络合物相比，νＭｎ—Ｎ特征谱带向高波数位移，νＭｎ—Ｃｌ特征谱带则向低波数有较大位移。     

丙酮酸分子结构与振动光谱的密度泛函理论研究

用密度泛函方法ＢＬＹＰ、Ｂ３ＬＹＰ和从头算Ｈａｒｔｒｅｅ－Ｆｏｃｋ（ＨＦ）方法在６－３１Ｇ＊基组水平上对丙酮酸分子的几何结构（甲基的重叠式和交错式两种构象）和振动光谱分别进行了优化和计算,并给出了各种频率所对应的红外强度及拉曼活性,对光谱进行了指认,结果表明：在丙酮酸分子的两种构象中,重叠式比较稳定,Ｂ３ＬＹＰ计算得到的构型参数与实验结果比较一致;在振动频率的计算中,ＢＬＹＰ未标度力场所计算的非Ｃ     

具有Keggin结构的多元杂多化合物的合成与光谱研究

本文合成了一些具有Ｋｅｇｇｉｎ结构的Ｐ－Ｖ－Ｍｏ－Ｗ四元杂多阴离子「ＰＶｘＭｏｙＷ１２－ｘ－ｙＯ４０」＾（３＋ｘ）－的化合物（其中,ｘ＝１,２和３）,并对其进行红外和拉曼光谱研究,可看到化合物的νａｓ（Ｍ＝Ｏｄ）、νａｓ（Ｍ－Ｏｂ－Ｍ）和νａｓＭ－Ｏｃ－Ｍ）的红外伸缩振动峰随着Ｖ原子数目的增加而红移;而钨原子数目的增加一般使之蓝移,但在所研究的ＰＶ２Ｍｏ９Ｗ和ＰＶ３Ｍｏ８Ｗ杂多化合物却出现略为反常     

分子轨道法（PPP—CI）计算芳烃化合物的荧光光谱及激发态结构

应用分子轨道法（ＰＰＰ－ＣＩ）计算了２５种芳烃化合物的基太和第一激发单重态的π电荷分布，偶极矩，键级，以及各分子轨道的能级分布的变化。计算得到的分子吸收光谱波长与实验值非常一致。发现计算得到的荧光辐射能△Ｅｆｌ与荧光光谱波数νｆｌ；计算得到的分子激发过程中的平均键级变化△Ｐ与荧光量子产率△存在如下关系：νｆＬ＝７．０５６０△ＥｆＬ＋２３．３８２０（Ｋｃｍ＾－＾１）ｒ＝０．９８８１ ｌｎФ＝－０．８     

高重复频率实时采集的光腔衰荡光谱

建立了一套脉冲激光衰荡光谱实验信号采集与处理系统。它以ＧＰＩＢ为控制和数据传输的界面，采用比国际上同类实验更合理严格的方式采集处理数据，实现了高重复频率、实时的波形信号传输、显示和处理。利用此装置测量了Ｈ２Ｏ从６２０￣６６５ｎｍ的振动泛频光谱，实验结果表明，该装置检测灵敏度达到５×１０＾－８ｃｍ＾－１。     

3—（9—芴甲氧基羰基）—四氢噻唑—2—硫酮振动光谱的简正坐标分析

本文采用简化一般价力场对３－（９－芴甲氧基羰基）－四氢噻唑－２－硫酮（简称Ｆｍｏｃ－ＴＴＴ）分子的振动光谱做了简正坐标分析计算，得到了一套合理的精化力常数。并对Ｔｍｏｃ－ＴＴＴ分子的振动频率进行了指认。其计算频率与实验频率的平均百分误差为０．６９１。     

3－（9－芴甲氧基羰基）－四氢噻唑－2－硫酮振动光谱的简正坐标分析

本文采用简化一般价力场对３－（９－药甲氧基羰基）－四氢噻唑－２－疏酮（简称Ｆｍｏｃ－ＴＴＴ）分子的振动光谱做了简正坐标分析计算，得到了一套合理的精化力常数。并对Ｆｍｏｃ－ＴＴＴ分子的振动频率进行了指认。其计算频率与实验频率的平均百分误差为０．６９１。     

氟原子与氯溴代甲烷反应的光谱及动力学研究

本文报导了氯原子与三种含氢氯溴代甲烷（ＣＨ２ＢｒＣｌ，ＣＨＢｒＣｌ２，ＣＨＢｒ２Ｃｌ）反应的光谱及动力学研究结果，观察了这些反应的可见化学发光（３００－９００ｎｍ）和染料Ｒ６Ｇ波段（５６５－６１０ｎｍ）的激光诱导荧光，观测到ＨＦ基电子态振动泛频跃迁和Ｂｒ２（Ａ，Ｂ），ＢｒＦ（Ｂ）分子电子激发态跃迁的发射谱以及ＢｒＦ（Ｘ），ＣＨＦ（Ｘ）的基电子态的激发谱，计算机模拟光谱求出了Ｂｒ２（Ｂ），ＢｒＦ（Ｘ     

CO分子d3Δ-a3Π三重带的塞曼调制磁旋转光谱的研究

采用塞曼调制磁旋转光谱技术（ＺｅｅｍａｎＭｏｄｕｌａｔｉｏｎｍａｇｎｅｔｉｃＲｏｔａｔｉｏｎＳｐｅｃｔｒｏｓｃｏｐｙ以下简称ＺＭ－ＭＲＳ）研究ＣＯ分子（ｄ３Δ－ａ３Π）的（５－０）振动带高灵敏度吸收谱。标识出了十二个子带，观察到了下态ａ３Π的Λ双分裂，拟合出了上下态分子常数。     

Guided-Wave Two-Dimensional Acousto-Optic Scanner Using Proton-Exchanged Lithium Niobate Waveguide

Two-dimensional scanning of a 0.6328 mum guided-light beam has been realized using noncolinear acousto-optic (AO) coplanar Bragg diffraction together with colinear AO guided-mode to substrate radiation-mode conversion in a Z-cut Xpropagation LiNbO3 proton-exchanged (PE) waveguide. The two surface acoustic (SAW) waves utilized are at the center frequencies of 500 and 200 MHz, propagating in the Y and X axes, respectively. Two-dimensional scanning of approximately 720 resolvable light beam spots, namely, 18 40 (horizontal vertical) scanning, has been demonstrated using a light beam of 1.0 mm aperture. The total number of resolvable beam spots can be greatly increased from 720 by simply utilizing SAW transducers of larger bandwidth and a light beam of greater aperture. It should also be possible to significantly increase the diffraction efficiency from 3 % by optimizing the parameters of the PE waveguide and the SAWs.     

Effect ofγ-radiation on the spectral luminescence characteristics of impure cadmium tungstate crystals

Results of a study of the effect of γ-radiation on the spectral luminescence properties of cadmium tungstate crystals doped with silver, bismuth, and molybdenum cations are presented. Spectral characteristics of the nondnnnoped crystals are briefly described. Absorption and photo and X-ray luminescence spectra of the crystals taken before and after exposure to γ-radiation (5.5·10⁴ Gy) are compared. It is found that the spectral characteristics of the crystals doped with silver, bismuth, and molybdenum cations do not change markedly after the exposure. The relation between the type of impurity-induced defects, individual characteristics of the impurity cations, and the character of the effect of γ-radiation on the spectral luminescence properties of impure crystals is analyzed (preliminarily). Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 1, pp. 55–60, January–February, 1997.     

Femtosecond Transform-Limited Pulse Generation by Compensating for the Linear Chirp of SPM Spectra in Dispersion Shifted Fibers

A simple technique of pulse compression, based on the linear chirp compensation of self-phase modulation (SPM) spectra in dispersion shifted fibers, is demonstrated. The optimization procedure is carried out, for a short span of a single-mode fiber, using a parabolic law, which describes the behavior of the squared output pulse width versus the pump peak power in the case of Gaussian pulses. The experimental results give a minimum pulse duration of 233 fs, which is in good agreement with the model. Shorter and coherent pulses, down to 90 fs, have been obtained by inserting an interference filter at the optical output.     

Sorting of bending magnets for the SSRF booster

The Shanghai Synchrotron Radiation Facility(SSRF)booster ring,a full energy injector for the storage ring,is deigned to accelerate the electron beam energy from 150MeV to 3.5GeV that demands high extraction efficiency at the extraction energy with low beam loss rate when electrons are ramping.Closed orbit distortion(COD)caused by bending magnet field uniformity errors which affects the machine performance harmfully could be effectively reduced by bending magnet location sorting.Considering the affections of random errors in measurement,both ideal sorting and realistic sorting are studied based on measured bending magnet field uniformity errors and one reasonable combination of bending magnets which can reduce the horizontal COD by a factor of 5is given as the final installation sequence of the booster bending magnets in this paper.     

Measurement of nonlinear coefficient of optical fiber based on small chirped soliton transmission

We measure the waveform and phase curves of short optical pulses before and after transmission over different lengths of fibers by use of the pulse analyzer with the frequency-resolved optical gating (FROG),and numerically simulate pulse evolution under the experimental conditions.The nonlinear coefficient of the fiber is given by comparing the experimental results with the numerical ones.Difference between the experiment and numerical simulation is analyzed.     

Resonance scattering of canonical elastic shells in absorbing fluid medium

Resonance scattering of elastic spherical shell and cylindrical shell while the surrounding fluid medium has absorption is studied. The normal mode solution derived using exact elastic theory and the separation of variables is still applicable. However, the scattering form function has to be modified for the absorbing medium, otherwise the unreasonable result would be obtained. The backscattering form function in the absorbing medium is redefined, and the form function of elastic spherical and cylindrical shell with vacuum or solid matter filled is calculated in various absorption conditions. The results show that the absorption of surrounding fluid leads to notable attenuation of the coincidence resonances in the mid-frequency, but it has a little influence on the low-frequency resonance scattering induced by the filler inside the shell.     

Single-beam self-referenced phase-sensitive surface plasmon resonance sensor with high detection resolution

A versatile and low-cost single-beam self-referenced phase-sensitive surface plasmon resonance(SPR)sensing system with ultra-high resolution performance is presented.The system exhibits a root-mean-square phase fluctuation of ±0.0028.over a period of 45 min.i.e.a resolution of±5.2×10-9 refractive index units.The enhanced performance has been achieved through the incorporation of three design elements:a true single-beam configuration enabling complete self-referencing so that only the phase change associated with SPR gets detected,a differential measurement scheme to eliminate spurious signals not related to the sensor response,and the elimination of retardation drifts by incorporating temperature stabilization in the liquid crystal phase modulato .Our design should bring the detection sensitivity of non-labeling SPR biosensing closer to that achievable by conventional fluorescence-based techniques.     

Influences of SiO2 protective layers and annealing on the laser-induced damage threshold of Ta2O5 films

Ta2O5 films are prepared on BK7 substrates with conventional electron beam evaporation deposition.The effects of SiO2 protective layers and annealing on the laser-induced damage threshold (LIDT) of the films are investigated.The results show that SiO2 protective layers exert little influence on the electric field intensity(EFI)distribution,microstructure and microdefect density but increase the absorption slightly.Annealing iS effective on decreasing the microdefect density and the absorption of the films.Both SiO2 protective layers and annealing are beneficial to the damage resistance of the films and the latter is more effective to improve the LIDT.Moreover,the maximal LIDT of Ta2O5 films is achieved by the combination of SiO2 protective layers and annealing.     

A stereo matching algorithm using multi-peak candidate matches and geometric constraints

Gray cross correlation matching technique is adopted to extract candidate matches with gray cross correla- tion coefficients less than some certain range of maximal correlation coefficient called multi-peak candidate matches. Multi-peak candidates are extracted corresponding to three closest feature points at first. The corresponding multi-peak candidate matches are used to construct the model polygon. Correspondence is determined based on the local geometric relations between the three feature points and the multi-peak candidates. The disparity test and the global consistency checkout are applied to eliminate the remaining ambiguous matches that are not removed by the local geometric relational test. Experimental results show that the proposed algorithm is feasible and accurate.