Raman Spectrum and Thermal Stability of a Newly Developed TeO_2-BaO-BaF_2-La_2O_3-LaF_3 Glass

In this work, a new TeO2-BaO-BaF2-La2O3-LaF3 oxyfluorotellurite glass system is investigated. Differential thermal analysis (DTA) and structural analysis by Raman scattering spectra are reported on the glasses. The DTA results indicated that an increase of fluoride content in the glasses decreases the glass transition temperature (Tg) and increases the crystallization onset temperature (Tx). As a result the 70TeO2·20BaF2·10LaF3 glass showed a large Hruby's parameter, possessing excellent thermal stability. Changes in glass network structure with fluoride content are discussed based on the Raman scattering spectra of glasses. The glass network structures in the 70TeO2·4(20-x)BaO·xBaF2·(10-y)La2O3·yaF3 glasses are basically composed of both Te(O, F)4 and Te(O, F)3 units, but the Te(O, F)4/Te(O, F)3 ratio in the glass becomes higher with increasing fluoride content. This may be considered one of the reasons why the 70TeO2·20BaF2·10LaF3 glass exhibits excellent thermal stability.

Studies on Lattice Vibrational Modes of Na_5Eu(WO_4)_4 Single Crystal by Raman Spectrum

Raman and infrared spectra of host luminescent crystal Na_5Eu(WO_4)_4 in several different geometric con- figurations have been investigated.The symmetrical species of lattice vibrational modes of the crystal have been analysed by means of the site group analysis method of group theory.The experimental vibrational modes have been assigned to A_g,B_g,E_g,A_u and E_u of crystal factor group C_(4h).Because the energies of stretching vibrational modes of(WO_4)^(2-)ion groups are very high(in the range of 755～940 cm^(-1)),multiphonon nonradiative transitions of ~5D_2→~5D_1 and ~5D_1→~5D_0 in Eu^(3+)will occur.So it causes Eu^(3+)ions in Na_5Eu(WO_4)_4 to emit ~5D_0→~5F_j(j=1,2,3,4)emissions mainly at room temperature and the emission light of Na_5Eu( WO_4)_4 has high red colour purity.

Raman spectrum study of δ-doped GaAs/AlAs multiple-quantum wells

Three samples of GaAs/A1As multiple-quantum wells with different quantum well widths and tS-doped with Be ac- ceptors at the well center were grown on （100） GaAs substrates by molecular beam epitaxy. Polarized Raman spectra were recorded on the three samples at temperatures in a range of 4-50 K in a backscattering configuration. The two branches of coupled modes due to the interaction of the hole intersubband transitions and the quantum-well longitudinal optical （LO） phonon were observed clearly. The evaluation formalism of the Green function was employed and each lineshape of the Raman spectrum of the coupled modes was simulated. The dependence of the peak position of Raman shifts of the two coupled modes as well as the quantum-well LO phonon on the quantum-well size and measured temperature were given, and the coupling interaction mechanism between the hole subband transitions and the quantum-well LO phonon was researched.

RESEARCH ON COUPLED RELATIONSHIP BETWEEN HYDRATION NUMBER WITH RAMAN SPECTRUM

As we know, there are three structures-sⅠ, sⅡ, and sH, with hydrocarbonate gas hydrate.Because of those special structures characteristics and potentail large fossil energy resource, gas hydrate play an important role in natural carbonate cycle system. In this paper, CH4, CO2, C3H8, and CH4 +CO2 system have been experimental performed in order to model hydrate formation and discomposition and to obtain hydrate stability conditions of tempreature and pressure. The results from laboratory using Raman spectra show that Raman spectrascopy is a effective tool to identify hydrate structure. Raman spectra of clathrate hydrate guest molecules are presented for two structure (sⅠ and sⅡ) in the following systems: CH4, CO2, C3 H8. Relatively occupancy of CH4 in the large and small cavities of sⅠ were determined by deconvoluting the v1 symmetric bands, resulting in hydration numbers of 6.04±0.03. The freqyuency of the v1 bands for CH4 in structures Ⅰ and Ⅱ differ statistically. The large cavities were measured to be almost fully occupied by CH4 and CO2, whereas only a small fraction of the small cavities are occupied by CH4. No CO2 was found in the small cavities.

Improvement of Raman spectrum uniformity of SERS substrate based on flat electrode

The distribution of metal nanoparticles on the surface of a surface enhancement Raman scattering(SERS)-active substrate plays a prominent part in not only the enhancement of Raman vibration signal,but also the spectrum uniformity.Here,a facile method to fabricate SERS substrates with excellent homogeneity and low cost was proposed,in which a lyotropic liquid crystal soft template was introduced for the coordinated growth of the silver nanoflowers in the process of electrochemistry deposition.Simulation was carried out to illustrate the dominated influence of the distance of electrodes on the deposited nanoparticle number.Two kinds of conductive materials,silver plate and indium tin oxide(ITO)glass,were chosen as the anode,while the cathode was fixed as ITO glass.The simulated conjecture on the effect of electrode flatness on the uniformity of deposited nanoparticles in silver is experimentally proved.More importantly,it was demonstrated that with a relatively smooth and flat ITO glass anode,a SERS substrate featuring higher spectrum uniformity could be achieved.This work is of great significance to the actual applications of the SERS substrate for quantitative detection with high sensitivity.

Si@Cu@Au AFM tips for tip-enhanced Raman spectrum

Tip-enhanced Raman spectrum(TERS) is a scanning probe technique for acquiring chemical information at high spatial resolution and with high chemical sensitivity. The sensitivity of TERS with atomic force microscopy(AFM) system is mainly determined by the metalized tips. Here, we report a fabrication protocol for AFM-TERS tips that incorporate a copper(Cu) primer film between a gold(Au) layer and a Si AFM tip. They were fabricated by coating the Si tip with a 2 nm Cu layer prior to adding a 20 nm Au layer. For top illumination TERS experiments, these tips exhibited superior TERS performance relative to that observed for tips coated with Au only. Samples included graphene, thiophenol and brilliant cresyl blue. The results may derive from the surface roughness of the tip apex and a Cu/Au synergism of local surface plasmon resonances.

Crystal Structure and Raman Spectrum of Neodymium（Ⅲ） Complex of p－Aminobenzoic Acid and 1，10－Phenanthroline

Crystal structure of tetra(1,10-Phenanthroline)neodymium (Ⅲ) tetra(4-aminobenzoate)-hydrate, [Nd(p-ABA)4·2Phen]H+3O·2Phen (p-ABA:p-aminobenzoate,Phen:1,10-phenanthroline) has been determined by X-ray diffraction.The complex crystallizes in monoclinic, space group C2/c.The cell dimensions are a=1.9067 (5) nm,b=1.9192 (3) nm,c=2.0190 (4) nm,β=117.25 (2) °.V=6.568 (3) nm3, Mr= 1428.63,Z=4 and Dx= 1.45 g·cm-3.The coordination number of Nd atom is 10, and the coordinated polyhedron around the Nd atom is distorted trigonal prism.

A Study on the Raman Spectrum of the LiNbO_3－doped Mg Crystal at Low Temperature

The Raman Spectra of LiNbO3:MgO(6.7mol%) at both lowtemperature and room temperature were studied. The results showed that the crystal structure had changed little after doping Mg++. At room temperature the lattice distorted a litlte, which caused the appearance of couping phenomenon of some individual scattering peaks. As the temperature decreased, the coupling reduced gradually.

Raman Spectrum of Rhombohedral Neodymium-Aluminum Borate

The Raman spectrum of rhombohedral NdAl 3 (BO 3) 4 (NAB) is recorded and interpreted. A factor group analysis of the NAB space group shows that there are 21A 1 and 59E Raman active modes. A discussion of the assignment of the individual Raman lines is given. The splitting predicted by factor group for the internal modes of (BO 3) 3+ anion are observed and interpreted.

Raman Scattering Spectrum Analysis of GaP andIts Luminous Materialsr

Abstract: The Raman scattering spectra of n- type GaP(doped S) single crystal and red and green luminous materials grown on the n - type GaP (doped S) single crys-tal substrate by liquid - phase epitaxy are analyed. The results show that the spectra of GaP single crystal and its luminous materials include not only the first - order longitudi-nal optical photons and transverse optical phonons Raman scattering peaks, but also the peaks of the bound excitons, bound electrons and bound holes.

In situ Detection of Amide A Bands of Proteins in Water by Raman Ratio Spectrum

The amide A band of protein is sensitive to the hydrogen bands of amide groups of proteins. However, it is hard to distinguish the amide A band of aqueous protein in situ directly, since it overlaps with O-H stretching vibration of water. In this work, we presented a new analytical method of Raman ratio spectrum, which can extract the amide A band of proteins in water. To obtain the Raman ratio spectrum, the Raman spectrum of aqueous protein was divided by that of pure water. A mathematical simulation was employed to examine whether Raman ratio spectrum is effective. Two kinds of protein, lysozyme and （^-chymotrypsin were employed. The amide A bands of them in water were extracted from Raman ratio spectra. Additionally, the process of thermal denaturation of lysozyme was detected from Raman ratio spectrum. These results demonstrated the Raman ratio spectra could be employed to study the amide A modes of proteins in water.

基于UV-Vis漫反射、Raman与PL光谱联用技术在黄色珍珠无损检测中的应用

应用紫外-可见(UV-Vis)漫反射、拉曼(Raman)与光致发光(PL)光谱就当前市售的大小各异、金色饱和度深浅不一的珍珠其致色属性予以对比分析。结果表明:基于珍珠UV-Vis漫反射光谱特征的差异将金黄色珍珠初分为两种类型:Ⅰ型珍珠其谱图在(360±5) nm处存在吸收带、在(420±10) nm处存在较弱的吸收峰或肩,该类珍珠为当前珍珠销售市场较为常见的自身致色珍珠;除Ⅰ型珍珠外,将其他金黄色系珍珠归属为Ⅱ型,其对应的UV-Vis反射光谱主吸收峰可位于340~430 nm区间,部分Ⅱ型样品在280~600 nm无明显吸收或仅存在较弱的吸收肩。进一步就Ⅱ型珍珠予以Raman光谱检测,在激发强度较低时经处理的Ⅱ型黄色珍珠在150~1 000 cm^(-1)区间可产生较强的荧光峰,且荧光峰的强度明显高于文石约1 086 cm^(-1)处的特征峰。同时,上述经处理的Ⅱ型珍珠对应的PL光谱同样表明在500~600 nm区间的荧光强度显著增大。此外,部分经处理的珍珠其Raman或PL光谱中可见与珍珠组成成分无关的特征峰位。上述珍珠的Raman与PL光谱中出现的异常荧光与外来特征峰可作为珍珠经处理的佐证依据。课题工作为当前金黄色珍珠颜色的形成属性及仿珍珠的鉴定提供理论与技术支撑,同时对于Raman光谱在其他类宝玉石、特别是有机宝石的检测鉴定中具有重要的借鉴意义。

Low-Threshold Broadband Spectrum Generation by Amplification of Cascaded Stimulated Raman Scattering in an Ytterbium-Doped Fiber Amplifier

We present an experimental study on low-threshold broadband spectrum generation mainly due to the amplirfication of the cascaded stimulated Raman scattering （SRS） effect in a four-stage fiber master oscillator power amplifier system. The cascaded SRS is achieved by using a long passive fiber pumped by a pulsed fiber laser cen： tered at wavelength 1064 nm. The amplified spontaneous emission during the amplification process is efficiently suppressed by cutting the length of the passive fiber and by using a double-clad ytterbium-doped fiber amplifier. The generated broadband spectrum spans from 960nm to 1700nm with maximum average output 13.6 W and average spectral power density approximately 17. 7 mW/nm.

Resonance Raman Spectra of Purified PS Ⅱ Core Antenna Complexes CP43 and CP47

PSⅡ core antenna complexes, CP43 and CP47, were purified from spinach (Spinacia oleracea L.) by DEAE Fractogel TSK 650S anion exchange chromatography. Their normal temperature (298 K) resonance Raman spectra were measured. The results suggest that all β carotenoids bound to CP43 and CP47 are in all trans configuration and likely in twisted conformations.

Investigation of Raman spectrum for nano-SnO_2

The dependence of the microstructural change and lattice space symmetry of nano-SnO2 on the annealing temperature has been studied systematically using Raman spectroscopy and X-ray diffraction.Comparing the results of nano-SnO2 with the results of amorphous film and single crystal of SnO2 it is found that the new Raman peaks N1 and N2 are in accordance with Matossi’s force constant model completely.When the annealing temperature is near 673K,the local lattice disorders and the density of vacant lattice decrease rapidly in the nano-SnO2 grains.The lattice distortion and the new Raman peaks disappear almost at the same time.The possible mechanisms of the microstructural change and the new Raman peaks NI and N2 are discussed.

新能源汽车电池的在线监测与原位分析技术

为控制新能源汽车电池耗电量,并对其电能消耗行为进行原位分析,针对新能源汽车电池的在线监测与原位分析技术展开研究。完善动力锂电池组结构模型,根据汽车电池的热耦合特性,推导监测核函数,实现新能源汽车电池的在线监测。在此基础上,确定汽车电池的电极材料,并分别从表征特性、拉曼光谱两个角度,对其电池元件的原位特性进行研究。

Femtosecond laser-induced nanoparticle implantation into flexible substrate for sensitive and reusable microfluidics SERS detection

Surface-enhanced Raman spectroscopy(SERS)microfluidic system,which enables rapid detection of chemical and biological analytes,offers an effective platform to monitor various food contaminants and disease diagnoses.The efficacy of SERS microfluidic systems is greatly dependent on the sensitivity and reusability of SERS detection substrates to ensure repeated use for prolonged periods.This study proposed a novel process of femtosecond laser nanoparticle array(NPA)implantation to achieve homogeneous forward transfer of gold NPA on a flexible polymer film and accurately integrated it within microfluidic chips for SERS detection.The implanted Au-NPA strips show a remarkable electromagnetic field enhancement with the factor of 9×108 during SERS detection of malachite green(MG)solution,achieving a detection limit lower than 10 ppt,far better than most laser-prepared SERS substrates.Furthermore,Au-NPA strips show excellent reusability after several physical and chemical cleaning,because of the robust embedment of laser-implanted NPA in flexible substrates.To demonstrate the performance of Au-NPA,a SERS microfluidic system is built to monitor the online oxidation reaction between MG/NaClO reactants,which helps infer the reaction path.The proposed method of nanoparticle implantation is more effective than the direct laser structuring technique.It provides better performance for SERS detection,robustness of detection,and substrate flexibility and has a wider range of applications for microfluidic systems without any negative impact.

加替沙星拉曼光谱、紫外吸收光谱及微观结构的理论研究

基于密度泛函理论(Density functional theory,DFT),M06-2X/6-311G(d,p)基组水平下对加替沙星分子的初始结构进行优化.计算其振动频率,采用VEDA4软件基于势能分布(Potential energy distribution,PED)计算结果对特征振动模式进行了归属指认,并和实验光谱进行了对比.绘制了分子表面静电势,分析分子可能发生亲电和亲核反应的位点.利用含时密度泛函理论(Time-dependent density functional theory,TDDFT)计算了加替沙星分子的激发态,讨论了加替沙星分子内的电子跃迁.该研究为分析加替沙星的光谱和电子结构提供了理论基础.

达卡巴嗪分子拉曼和紫外吸收光谱的理论研究

采用密度泛函理论(Density functionol theory,DFT),在B3LYP/6-31+g(d,p)基组水平上,对达卡巴嗪进行了结构优化,通过频率计算,获得达卡巴嗪的拉曼光谱,与实验获得的拉曼光谱进行对比,对400~2000 cm^(-1)频率范围内的拉曼光谱特征峰进行了指认归属.计算分析前线分子轨道和表面静电势,预测了达卡巴嗪分子化学反应发生的位点.采用含时密度泛函理论(Time-dependent density functional theory,TDDFT)计算了该分子的紫外吸收光谱和激发态,获得电荷转移光谱,分析了达卡巴嗪分子间的电荷转移关系.

拉曼光谱结合化学计量学方法的复方柳安咖注射液成分分析

为了实现复方柳安咖注射液成分的快速检测,利用拉曼光谱的指纹识别性、聚焦式采样方法及水影响较低的特点结合化学计量学方法对复方柳安咖注射液进行了分析。复方柳安咖注射液针剂样品的拉曼光谱显示,复方柳安咖注射液针剂的拉曼光谱主要由水杨酸钠、安替比林和咖啡因的水溶液拉曼谱带组成。以水杨酸钠梯度溶液拉曼光谱特征峰812 cm^(-1)和1033 cm^(-1)、安替比林梯度溶液拉曼光谱特征峰724 cm^(-1)和1005 cm^(-1),依据散射光强与相应组分浓度之间的关系,利用光谱特征峰高度、峰面积分别建立定量分析模型;考虑各成分光谱间的相互干扰,也利用水杨酸钠梯度溶液光谱745~920 cm^(-1)、1010~1060 cm^(-1)波段数据和安替比林梯度溶液拉曼光谱700~750 cm^(-1)、950~1020 cm^(-1)波段数据,基于偏最小二乘法(PLS)建立定量分析模型。两种分析模型对三个不同厂家不同生产批次的31个针剂样品中主要成分水杨酸钠和安替比林的含量进行预测,预测值与液相色谱法测试值相近;预测水杨酸钠和安替比林含量分别为标示量的96.4%~102.3%之间和98.1%~105.8%之间,都符合国家药品标准,与液相色谱测试法的分析结果一致。表明拉曼光谱结合化学计量学方法能对复方柳安咖注射液成分进行定量分析,具有准确、方便、快捷的优点。