低温下二氧化硅介孔内水的振动性质

利用拉曼谱测量了100 K-303 K温度范围内受限于二氧化硅介孔内水的振动性质. 利用水分子在亲水介孔内, 先径向后轴向的吸附生长特点, 改变孔内界面水和位于孔中心水的相对含量. 发现越接近界面, 水低温相的振动谱越偏离体相六角冰的振动谱. 当界面水层减小到小于两个水分子层厚度时, 界面水在降温过程中不具有晶化行为, 其低温相与体相非晶冰相的拉曼谱主峰位在不同的温区内随温度的变化趋势相同、 连续.     

不同水质的拉曼光谱研究

测量了不同浓度杂质水的拉曼光谱的,并与蒸馏水的拉曼光谱线进行比较和分析.结果表明,水中所含杂质的浓度越高其对应拉曼谱线弯曲振动的强度就越大,弯曲振动与伸缩振动的强度比也越大,而且拉曼光谱线峰下的面积也随着杂质浓度的增大而增加.     

Probing interfacial dynamics of water in confined nanoporous systems by NMRD

The confined dynamics of water molecules inside a pore involves an intermittence between adsorption steps near the interface and surface diffusion and excursions in the pore network. Depending on the strength of the interaction in the layer(s) close to the surface and the dynamical confinement of the distal bulk liquid, exchange dynamics can vary significantly. The average time spent in the surface proximal region (also called the adsorption layer) between a first entry and a consecutive exit allows estimating the level of ‘nanowettablity’ of water. As shown in several seminal works, NMRD is an efficient experimental method to follow such intermittent dynamics close to an interface. In this paper, the intermittent dynamics of a confined fluid inside nanoporous materials is discussed. Special attention is devoted to the interplay between bulk diffusion, adsorption and surface diffusion on curved pore interfaces. Considering the nano or meso length scale confinement of the pore network, an analytical model for calculating the inter-dipolar spin–lattice relaxation dispersion curves is proposed. In the low-frequency regime (50?KHz–100?MHz), this model is successfully compared with numerical simulations performed using a 3D-off lattice reconstruction of Vycor glass. Comparison with experimental data available in the literature is finally discussed.     

Vibrational properties and Raman spectra of different edge graphene nanoribbons,studied by first-principles calculations

The vibrational properties and Raman spectra of graphene nanoribbons with six different edges have been studied by using the first-principles calculations. It is found that edge reconstruction leads to the emergence of localized vibrational modes and new topological defect modes, making the different edges identified by polarized Raman spectra. The radial breathing-like modes are found to be independent of the edge structures, while the G-band-related modes are affected by different edge structures. Our results suggest that the polarized Raman spectrum could be a powerful experimental tool for distinguishing the GNRs with different edge structures due to their different vibrational properties.     

拉曼光谱法计算多孔硅样品的温度

利用457.5nm固体激光器作为激发光源，得到了在不同功率激发下的多孔硅样品的拉曼光谱以及一些谱峰参数随功率的变化关系. 在从前的理论研究中，认为是由于激光功率的增大导致样品局域温度升高，从而使样品局域粒径变小，并由此引起了一系列谱峰参数的变化. 分别由520cm^-1和300cm^-1附近得到的随功率变化的拉曼谱图，详细讨论并计算了激光功率对多孔硅样品局域温度的定量影响，为拉曼光谱用于样品温度的定量测量奠定了实验基础. 关键词： 拉曼光谱 多孔硅 激光功率 样品温度     

近代Raman光谱技术

介绍几种近代拉曼（Raman）光谱技术及其在科学中的应用。     

Perspectives on water science: transport and application of confined water

The confinements of water can be divided into two main categories,namely,the confinements on surface or interface and the confinements in bulk water.By adding ions or applying electric field,the intensity and distribution of the hydrogen bonds can be greatly affected.These are collectively known as confinement on water surface or interface,which has potential applications in life science and industries involving evaporation control.Confined bulk water could be found everywhere in nature,such as in granular and porous materials,macromolecules and gels,etc.The investigation of the physical properties and the transports of the confined bulk water will contribute to understanding certain types of life activities such as the water transport in plant and in new application of extracting the shale oil and water.     

Infrared absorption spectra and structure of TiO2-SiO2 composites

The composites xTiO₂-(1−x)SiO₂ (x = 0.1, 0.5, 0.9) were obtained by coprecipitation from solutions of alkoxides: tetraethoxysilane (TEOS) and titanium tetraisopropoxide (TIPT). Intermolecular interaction of the components of the composite is apparent in the IR absorption spectra in the 928–952 cm⁻¹ region, and is connected with bending vibrations of the Si-O-Ti bond. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 5, pp. 724–728, September–October, 2008.     

Raman and infrared spectra of tere-phthalaldehyde

The laser Raman spectrum of tere-phthalaldehyde powder has been recorded on a Jobin Yvonhg 2S spectrophotometer with a~100 mW Argon-Ion laser. The infrared spectrum of the solid substance has been recorded on a Perkin-Elmer 621 spectrophotometer in the region 300–4000 cm^-1 using KBr and nujol mull techniques. The observed frequencies have been assigned in terms of the fundamentals, overtones and combinations assumingD _2h point-group symmetry.     

纳米颗粒DBS/TiO_2的拉曼光谱

采用水热法制得表面包覆有十二烷基苯磺酸的二氧化钛纳米粒子 ,并应用拉曼光谱对其进行了检测。结果表明 :样品为表面包覆有十二烷基苯磺酸的二氧化钛纳米粒子的集合体。其拉曼峰与未包裹的二氧化钛拉曼峰相比 ,出现了蓝移现象 ,从纳米粒子的表面结构及包裹层的压力出发对此现象进行了定性解释和讨论     

Structural properties of water confined by phospholipid membranes

Biological membranes are essential for cell life and hydration. Water provides the driving force for the assembly and stability of many cell components. Here, we study the structural properties of water in a phospholipid membrane. We characterize the local structures, inspecting the intermediate range order (IRO) and adopting a sensitive local order metric recently proposed by Martelli et al. that measures and grades the degree of overlap of the local environment with the structures of perfect ice. Close to the membrane, water acquires a high IRO and changes its dynamical properties; i.e., its translational and rotational degrees of freedom slow in a region that extends over ≃ 1 nm from the membrane interface. Surprisingly, we show that at distances as far as ≃ 2:5 nm from the interface, although the bulk-like dynamics are recovered, the IRO of water is still slightly higher than that in the bulk under the same thermodynamic conditions. Therefore, the water-membrane interface has a structural effect at ambient conditions that propagates further than the often-invoked 1-nm length scale. Consequently, this should be considered when analyzing experimental data of water confined by membranes and could help us to understand the role of water in biological systems.     

多孔硅拉曼光谱的研究

采用电化学腐蚀的方法制备多孔硅。对不同实验条件下所得到的多孔硅的拉曼光谱进行了分析，确认多孔硅是具有纳米晶结构特征的材料，肯定了量子限制效应在多孔硅光致发光中的作用。     

苏氨酸的太赫兹及拉曼光谱研究

采用太赫兹时域光谱和拉曼光谱法对L-苏氨酸多晶粉末进行测试研究,获得了样品在0.2—2.8 THz（6.7—93.2 cm^-1）波段的特征吸收和10—4000 cm^－1波段的拉曼散射谱;分别在6.7—93.2 cm^－1和400—4000 cm^－1两个波段进行了吸收光谱与拉曼散射光谱的对比,根据晶胞分子所属的空间群,对隶属于分子的极性和非极性振动模式（A, B₁, 关键词： 太赫兹光谱 拉曼散射 氨基酸     

Raman spectroscopy studies of structural changes in hydrated titanium and tin dioxide gels under drying

Raman spectroscopy is used in this work to reveal an increase in the size of anatase crystallites in the process of drying of hydrated titanium dioxide gel and ordering of the structure of primary particles of hydrated tin dioxide gel under drying. Raman spectra are interpreted with account of dimensional effects. It is found that mechanical stresses that arise in the materials under drying have a great effect on the structural changes found there. TERMOXIDE Research and Production Company, 624051 Zarechnyi, Sverdlovsk Region, P/O Box 94, Russia. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 2, pp. 266–268, March–April, 1997.     

Laser Raman and infra-red spectra of biomolecule: 5-aminouracil

Laser Raman (200–4000 cm⁻¹) and IR (200–4000 cm⁻¹) spectra of 5-aminouracil were recorded in the region 200–4000 cm⁻¹. Assuming a planar geometry and C_s point group symmetry, it has been possible to assign all the 36 (25a′ + 11a″) normal modes of vibration for the first time. The two NH bonds of the NH₂ group appear to be equivalent as the NH₂ stretching frequencies satisfy the empirical relation proposed for the two equivalent NH bonds of the NH₂ group. The two NH₂ stretching frequencies are distinctly separated from the CH/NH ring stretching frequencies. A strong and sharp IR band at 3360 cm⁻¹ could be identified as the anti-symmetric NH₂ mode whereas the band at 3290 cm⁻¹ with smaller density could be identified as the symmetric NH₂ stretching mode. All other bands have also been assigned different fundamentals/overtones/combinations.      

麻黄素拉曼散射振动模式的研究

利用显微拉曼对违禁药品麻黄素以及伪麻黄素———左旋咪唑致幻药物做了拉曼测试 ,在激发光 5 1 4 5nm和室温环境下 ,得到了麻黄素和左旋咪唑分子的拉曼散射谱。麻黄素属单取代苯类 ,具有Cy2ν对称性 ,我们对它的拉曼振动模式做了识别。并将麻黄素的拉曼谱和甲基安非他明做了对比分析 ,麻黄素和甲基安非他明同属单取代苯 ,其分子结构十分相似 ,由于取代基的成分不一样 ,因而拉曼谱中一些峰的相对强度和位置发生了变化     

基于密度泛函的伪麻黄碱拉曼光谱性质研究

研究伪麻黄碱的拉曼光谱和吸附在纳米银基底上的表面增强拉曼光谱(SERS),利用密度泛函理论B3LYP/6-311G++(d, p)方法对伪麻黄碱分子进行了计算,得到了分子构型信息和理论拉曼光谱,用Gaussview软件对分子振动模式进行了全面的归属,在伪麻黄碱的表面增强拉曼光谱中,采用了自组装方法获得了团簇银纳米表面增强基底,实现了很好的增强效应.实验结果表明：伪麻黄碱的拉曼光谱计算结果和实验结果基本一致,理论计算为伪麻黄碱分子振动峰位的归属提供了重要的依据,伪麻黄碱分子与银纳米表面化学吸附,苯环垂直于纳米基底表面,研究结果为伪麻黄碱的拉曼光谱检验分析提供了理论依据,也为苯丙胺类毒品的光谱分析研究提供了参考.     

Raman spectroscopy: Probing dynamics of water molecules confined in nanoporous silica glasses

In order to explore the influence of nanoscopic confinement on the vibrational properties of H-bonded liquids, we performed a detailed Raman scattering study, as a function of temperature, on water confined in 75 ? and 200 ? pores of a Gelsil glass. A detailed evaluation of the observed changes in the O-H stretching profile has been achieved by decomposing the O-H band into individual components, corresponding to those found for bulk water and associated to different levels of water connectivity. As main result, a similar effect produced by enlarging pore diameter and lowering T has been put into evidence. Again, the “structure-breaker” role of the GelSil glass on physisorbed water is confirmed and shown to be enhanced by the diminishing of the pore size.     

细胞色素bc_1复合物的共振拉曼光谱

对不同氧化还原状态的细胞色素 bc_1复合物的共振拉曼光谱进行了分析比较。对部分拉曼信号的变化进行了指认。细胞色素 c_1的还原引起1640cm~(_1)和1560cm~(_1)及1454cm~(_1)的明显变小,细胞色素 b 的还原引起1544cm~(_1)的下降。这些信号可以标志复合物中不同色素的氧化还原状态,对拉曼方法用于研究呼吸链酶系有重要参考价值。     

Raman evidence of the interaction between multiwalled carbon nanotubes and nanostructured TiO2

Nanocomposites of carbon nanotubes and titanium dioxide (TiO₂) have attracted much attention due to their photocatalytic properties. Although many examples in the literature have visualized these nanocomposites by electron microscopic images, spectroscopic characterization is still lacking with regard to the interaction between the carbon nanotube and TiO₂. In this work, we show evidence of the attachment of nanostructured TiO₂ to multiwalled carbon nanotubes (MWNTs) by Raman spectroscopy. The nanostructured TiO₂ was characterized by both full‐width at half‐maximum (FWHM) and the Raman shift of the TiO₂ band at ca 144 cm⁻¹, whereas the average diameter of the crystallite was estimated as approximately 7 nm. Comparison of the Raman spectra of the MWNTs and MWNTs/TiO₂ shows a clear inversion of the relative intensities of the G and D bands, suggesting a substantial chemical modification of the outermost tubes due to the attachment of nanostructured TiO₂. To complement the nanocomposite characterization, scanning electronic microscopy and X‐ray diffraction were performed. Copyright © 2011 John Wiley & Sons, Ltd.