沉积有机质的喇曼光谱研究

本文用激光喇曼光谱显微探针研究了选自广西、湖南和New Caldeonin（澳大利亚）的11个有代表性沉积变质岩样品中的沉积有机质。有机质有两个主要喇曼频率振动区域:1600cm-1峰和1350cm-1峰。文中对这两个特征喇曼谱峰的归属进行了说明,讨论了不同类型沉积有机质特征喇曼谱峰的差异和不同变质演化阶段有机质产生的喇曼光谱系统性变化规律,指出激光喇曼光谱显微探针技术是一种研究沉积有机质特征十分便利、有效的方法。     

硼酸盐矿物的振动光谱研究：Ⅱ：红外光谱特征

本文通过观测在不同温度下加热过的硼酸盐矿物的红外光谱,并与喇曼光谱结果进行比较,讨论了红外光谱谱带的归属。结果表明,通过观测不同温度下加热过的样品的谱带特征有助于谱带的归属。     

天然萤石的喇曼光谱和发光谱研究

本文着重报导对采自我国不同地区和不同成因类型的２３个天然萤石样品所进行的喇曼光谱测定和研究结果，大多数样品也同时显示发光谱，研究发明，萤石的喇曼图谱与其成因类型，样品的颜色，特别是所含稀土总量密切相关，低温有利于发光谱线的呈现，而高温则怡恰相反。     

硼酸盐矿物的振动光谱研究：Ⅰ：喇曼光谱特征

本文利用激光喇曼光谱研究了不同类型的硼酸盐矿物,讨论了它们的谱带特征及其归属。研究结果表明,具简单基团的喇曼光谱可以作出比较明确的归属,且与红外光谱结果一致,而同时具三、四配位硼的矿物,其配阴离子虽很复杂,各种谱带相互叠加,但仍可以对主要谱带作出初步的归属。     

铁杂质对金红石晶胞参数的影响

对采自我国不同成因类型矿床及人工合成的金红石用X射线衍射法,在室温下进行了系统的晶胞参数测定。将其与化学分析及探针分析结果相对照,说明随着金红石中以类质同象置换形式存在的Fe~(3+)离子增加,晶胞参数也相应逐渐增大。 本工作对1号样品还进行了高温衍射测量,计算出金红石在不同温度下的晶胞参数及金红石晶胞参数随温度变化的线性方程。此外,还用激光热膨胀法测定了金红石的热膨胀系数,以资对照。     

电气石中水的振动谱学研究及其意义

利用偏振喇曼光谱（ＰＲＳ）和傅里叶变换红外光谱（ＦＴＩＲ）研究了三种不同成因电气石单晶的振动谱学特征。ＰＲＳ研究表明电气石结构中三个阴离子团（即［Ｓｉ６Ｏ１８］＾１２－、［ＢＯ３］＾３－、［ＯＨ］＾－）的喇曼谱在平行ｃ轴方向（／／ＮＥ）比垂直ｃ轴方向（／／ＮＯ）敏锐，而且［ＯＨ］＾－喇曼光谱只在平行ｃ轴的ＰＲＳ中才观察到。不同成因电气石中［ＯＨ］＾－占位不同。结合ＦＴＩＲ研究发现在伟晶型和热液型的     

榍石的红外光谱及穆斯堡尔谱研究

本文描述了花岗岩中榍石的矿物学特征,对其红外光谱与金红石红外光谱对比研究,获得某些谱带的归属,并给出了群论分析;对其穆斯堡尔谱Fe~(3-)的两组对线的归属从结构、成分上进行了讨论.     

应用激光喇曼光谱特征参数反映有机碳质的成熟度

激光喇曼光谱技术具有测试简便和准确等优点，有机碳质物的激光喇曼光谱参数可以作为成熟度指标。并计算出镜质体反射率与激光喇曼光谱参数的回归关系式，喇曼光谱成熟度指标对应的成熟度范围为2.1%-15.0%(Ro)。     

锆石微区喇曼光谱研究及成因标型意义

通过对岩浆和变质成因锆石的微区喇曼光谱研究,揭示出岩浆和变质成因锆石从晶体核部至边缘在喇曼光谱峰强度上存在不同的变化趋势,即岩浆成因锆石由晶体核部至边缘喇曼峰强度逐渐减弱,而变质成因锆石则相反或不变化。这是由于它们形成时晶体中的U、Th分带趋势不同造成,具有重要的成因标型意。     

流体包裹体的喇曼光谱分析进展

激光显微喇曼光谱已经成为流体包裹体非破坏性分析的重要手段。它可以快速方便地对单个包裹体进行定性、半定量乃至定量分析，且样品制备简单。通过对入射光进行聚焦，可以分析样品中微米级的包裹体。激光显微喇曼光谱对纯气相包裹体、盐水溶液包裹体、含挥发分的水溶液包裹体，以及有机包裹体的分析已经显示出了很大的潜力。此外，对流体包裹体中同位素比值的分析和作为高温高压下流体的分子之间作用的研究也具有很大应用前景。     

原位低温拉曼光谱技术在人工合成CaCl2-H2O和MgCl2-H2O体系流体包裹体分析中的应用Ⅱ:低温下流体包裹体相变行为的研究

本文利用低温原位拉曼技术,对CaCl2-H2O体系和MgCl2-H20体系人工合成流体包裹体进行了研究.结果表明:对于盐浓度不同的溶液而言,可采用不同的冷冻方式有效采集低温拉曼光谱;通过系统采集不同温度下的拉曼光谱,可以直接准确地测定包裹体中流体的成分和低温相变过程.人工合成包裹体原位低温拉曼光谱的研究,为将该技术应用于天然包裹体分研究奠定了理论基础,可以预见,该技术必将在流体包裹体研究领域发挥其它方法不可替代的重要作用.     

金刚石中的成键氢

金刚石中杂质相的研究一直倍受关注,但大多集中在B、N两种杂质的研究上,而对于氢在其中的赋存状态研究则刚刚开始。从振动谱学（IR、Raman）的角度对氢在金刚石中的一种赋存状态--成键氢进行的研究表明,成键氢在金刚石中可以以碳氢键、H2及 O-H键的形式存在。     

Graphite and Graphite-like Materials from Black Shale and Magmatic Ores: Raman Spectroscopy Data

Graphite and graphite-like materials widely are present at black shale and magmatic ores. The nature of these carbon materials (CM) is multifarious. In what cause connects a mineralization with carbon. The great numbers of parameters, namely, the temperature, the pressure, the shear stress, the catalytic species, the host-rock lithology, the time and etc., have an influence on the graphitization process. Accumulations of gold and platinum group elements in black graphite shale and extraction of these metals from rocks depend in considerable degree from structural properties of CM. Raman spectroscopy has wide applied for various carbon modifications, including nano-structuring materials. The first and second-order Raman spectrum have been correlated with changes in the structure of graphite. There is a linear relationship between temperature and Raman R2 and R1 parameters (derived from the area and intensity of the defect band (D) relative to the ordered graphite band (G), respectively). The purpose of the present study is to characterize the rocks and CM from carbon-rich rocks of gold-ore deposits of the black-shale formation and magmatic ores using micro-Raman spectroscopy technique (Horiba Jobin Ivon LabRam spectrometer). Exciting was performed with 325 nm line of He-Cd laser. The graphite and graphite-like samples from many ore deposits of Russia and Kazahstan are investigations. R1 and R2 ratio indicate variable degree of organisation CM in the samples. The results show different spectral variations of CM with metamorphic grade: the well-ordered graphite from magmatic rocks, more - ordered and the disordered less graphitized CM from black-shale ores. For the first time in the world practice the Raman spectroscopy technique has been applied to determine the temperature of graphitizing for CM at gold-ore deposits of the black-shale formation. The temperatures obtained on carboniferous substance for the gold deposits range from 405°С to 280°С. Temperature of CM formation from Pt-low sulphide ores of the Talnakh deposit ranges from 4700C to 6500C. It has been shown that the carbon-rich phases from black-shale and magmatic rocks have various degrees of graphitization and different carbon forms.     

成矿流体包裹体盐度的拉曼光谱测定

拉曼光谱在 2 80 0～ 3 4 0 0cm-1范围内对水溶液中OH-离子的变化非常敏感 ,溶液中电解质的浓度变化与溶液的拉曼光谱特征参数之间存在一定的定量关系。通过对不同浓度标准NaCl和KCl水溶液的拉曼光谱特征分析 ,提出了一种可综合反映溶液浓度的拉曼光谱参数 (偏斜率 )。通过试验和分析 ,发现NaCl和KCl水溶液浓度与水溶液拉曼光谱偏斜率之间存在很好的线性关系 ,并找出了拟合直线 ,同时给出了NaCl和KCl水溶液盐度的拉曼参数计算经验公式。为了验证此公式的有效性 ,专门用传统的显微微热计和激光拉曼光谱仪分别测定了人工流体包裹体和马脑壳金矿床含金石英脉中的流体包裹体的盐度 ,并对结果进行了对比讨论 ,证明用激光拉曼光谱仪测定不饱和流体包裹体的盐度是一种快速、简便、无损的盐度测定新方法     

Comparing the Success Rate of Raman Spectroscopy and Powder XRD for Routine Mineral Identification

This study provides a measurement of success rate of Raman spectroscopy for mineral identification, and a direct comparison of powder X‐ray diffraction (PXRD) is provided by applying the same procedure for measuring its success rate against the identical set of samples. Consistent, standardised analytical procedures were applied to a set of fifty‐five minerals, and a success score was assigned to the results of each analytical method for each sample. For each analytical method, an average success rate (on a scale of 0–100) was calculated from these success scores. The success rate measured for powder XRD is 89, while the success rate for Raman spectroscopy came to 77. As the most common analytical challenge in Raman spectroscopy is specimen photoluminescence (PL), an estimate of the impact of technological advances that would eliminate this interference is provided by recalculating the success rate after removing the samples that produced PL interference from consideration. The resulting no‐PL success rate of 90 indicates that the success rate of Raman spectroscopy would be quite comparable to powder XRD if PL interference could be removed from Raman spectra.     

显微激光拉曼成像技术在淡水无核珍珠研究中的应用

近年来,珍珠中的六方球文石成为珍珠研究的一个热点。利用文石与六方球文石的特征拉曼光谱差异,对淡水无核珍珠样品的两种物象组成进行了测试研究。采用显微激光拉曼成像技术初步确定了淡水无核珍珠样品中六方球文石的位置、形状与大小。结果显示,其多分布于珍珠珠核部位,也可出现在珍珠表面。通过扫描电子显微镜进一步观察,珍珠表面上的六方球文石与文石的微形貌特征有较明显的区别。同时,还一并探讨了拉曼光谱在珍珠样品中出现的方向性效应以及有机色素产生的拉曼效应。     

和田玉、玛纳斯碧玉和岫岩老玉的拉曼光谱研究

拉曼光谱测定的28件闪石岩类玉石样品中,除玛纳斯碧玉是阳起石外,其他均为透闪石.其拉曼光谱图基本一致,但因受其含FeO量多少的控制,拉曼光谱图也存在一些差别.     

Phonon spectra of 2∶1 mullite in infrared and Raman experiments

Single crystal Raman and infrared phonon spectra of mullite were measured. The number of modes, their frequencies and line profiles are analysed. The local structural changes associated with the formation of oxygen vacancies contribute to the appearence of modes in both the Raman and infrared spectra of mullite. The number of modes is increased compared with the degrees of freedom predicted by group theory for the mullite structure without oxygen vacancies.     

Vibrational Spectroscopic Study for Qualitative Assessment of Mn‐oxide Ore

Manganese oxide ore from the Bonai‐Keonjhar belt of Odisha, India, has been qualitatively assessed through Raman and FTIR spectroscopy, and X‐ray diffraction. Three categories of ore, namely, high‐grade (MnO₂: >72%), medium‐grade (MnO₂: 55‐72%) and low‐grade (MnO₂:40‐55%) from four mine profiles, Purnapani, Joda West, Khandbandh and Bamebariwere, were collected and subjected to vibrational spectroscopic studies. The use of Raman analysis in the microscopic configuration allowed the spectra to be taken at different points on the polished ore. Besides the Raman features of the ß‐MnO₂(Pyrolusite) phases, other signals were assigned to isolated FeO ions accommodated in vacancies and to some aluminium silicates. The three grades of ore show different Raman spectra. The FTIR spectra also exhibit contrasting pattern in different grade sample and support these findings. This study demonstrates the use of vibrational spectroscopy to assess the quality of Mn‐oxide ore that could provide a substitute to cumbersome wet chemical analysis     

The chemical compositions and surface structures of two roAp stars with lithium spots (HD 83368 and HD 60435)

The spectra of two roAp stars have been analyzed as part of a project to study lithium in magnetic Ap stars. Variability of the Li I 6708 Å resonance doublet and rare-earth lines was detected, which can be explained using an oblique rotator model with the lithium spots located at the magnetic poles. Synthetic spectra obtained at different rotational phases have yielded the first data on the atmospheric chemical compositions of these spotted stars. Using refined atomic data and the most complete line lists has enabled a detailed study of the spectra near the Li I 6708 Å line and computation of the Li I line profile taking into account the spotted distribution of the lithium over the stellar surfaces. The positions of two lithium spots and lithium abundances for each of the spots have been determined.