老鹳草中药材红外光谱的分析与鉴定

采用红外光谱、二阶导数光谱和二维相关红外光谱对来自黑龙江、吉林、辽宁三省的老鹳草中药材进行了分析。不同产地的老鹳草的红外光谱都具有1 730和1 337 cm-1等表征鞣质类成分的特征吸收峰和1 618和1 318 cm-1波数表征草酸钙的特征峰。其中还发现在1 370 cm-1的C—H弯曲振动区和1 230 cm-1的C—O伸缩振动区三产地老鹳草具有一定的差异性。在高分辨的二阶导数谱中, 1 509,1 204,764和763 cm-1附近的表征鞣质类成分的吸收峰更明显,三产地老鹳草在CO羰基伸缩振动区表征了脂肪类化合物的不同;尤其是在二维相关光谱上,各自的自动峰具有显著的差异性,黑龙江的老鹳草出现了7个自动峰,其中1 621 cm-1处自动峰最强;而在吉林和辽宁产地的老鹳草中同样出现了4个自动峰,前者1 580 cm-1处的自动峰最强,后者在1 649 cm-1处自动峰最强。该方法直观、简单、方便、快速,可以作为鉴别和鉴定同种不同产地老鹤草的一种新方法。     

多条件下波罗的海琥珀热优化对谱学特征的影响

波罗的海琥珀是松科松属或雪松属、南洋杉科贝壳杉属或金松科金松属古植物的液态树脂经过多种地质作用后形成的石化树脂,其主要化学成分为具有\"规则构型\"的半日花烷型双萜化合物的聚合物,同时含有大量琥珀酸(丁二酸).多种原因导致波罗的海琥珀的原材料价格发生波动,其热优化品在市场上不断涌现.热优化波罗的海琥珀与天然波罗的海琥珀在市...     

二次微分和傅里叶解卷积技术的表观分辨率研究

二次微分和解卷积技术都可以提高红外光谱的表观分辨率 ,从而可以分辨谱图中重叠的峰。文章用二次微分和解卷积技术对 2 十二烷基TCNQ ,2 十五烷基TCNQ和 2 十八烷基TCNQ的红外光谱进行了处理 ,发现CH2 反对称和对称伸缩振动区域的两对吸收峰的强度与脂肪链的长度有关 ,并从实验上证实了解卷积技术比二次微分技术具有更强的表观分辨能力     

Anomalies in the polarized raman spectrum of crystal quartz

Summary By means of coherent Raman scattering we have measured in quartz the dispersion of the elements of the Raman tensor in the range (900÷1070) cm⁻¹. The results determine with good accuracy the relative contribution of the various modes to the second-order nonlinear susceptibility. For some elements of the Raman tensor the present results greatly improve the precision of data already known; for others the dispersion and the relative strengths have been measured for the first time. In particular, a strong, frequency-dependent, asymmetry of the Raman tensor has been evidentiated; this asymmetry is interpreted in terms of optical Raman activity.     

Coherent hyper-raman scattering: An application to amorphous materials

Summary Coherent Hyper-Raman scattering from hot polaritons gives conspicuous advantages with respect to thermal Hyper-Raman scattering. It allows a precise study of polar modes in liquids and amorphous materials, where they are forbidden in Raman scattering. We give a classical theory for this nonlinear process and the results are applied to the study of the polariton at 1065 cm⁻¹ in amorphous quartz. The experimental data, having a precision two orders of magnitude better than in previous studies, show that the polaritons propagate in the glass with a well-defined wave vector. The dispersion curve of the polariton and its width in the wave vector space can be described by means of a multioscillator model taking into account the inhomogenous width of the levels originated from disorder.

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Riassunto La diffusione Hyper-Raman coerente da polaritoni eccitati mediante assorbimento di un impulso laser infrarosso offre notevoli vantaggi rispetto alla diffusione Hyper-Raman termica. Essa consente uno studio preciso dei modi polari negli amorfi e nei liquidi dove risultano proibiti nelle transizioni Raman. Viene formulata una teoria classica per questo tipo di diffusione coerente ed i risultati vengono applicati allo studio sperimentale del polaritone a 1065 cm⁻¹ nel quarzo amorfo. I dati sperimentali, con una precisione di due ordini di grandezza migliore che nei precedenti studi, mostrano che il polaritone si propaga nel vetro con un ben definito vettore d’onda. La curva di dispersione del polaritone e la sua larghezza nello spazio dei vettori d’onda può essere descritta mediante un modello a più oscillatori, tenendo conto dell’allargamento inomogeneo dei livelli derivante dal disordine.

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Резюме Когерентное гипер-рамановское рассеяние на горячих поляритонах дает явные преимущества по сравнению с тепловым гиперрамановских рассеянием. Этот подход поэволяет исследовать полярные моды в жидкостях и аморфных материалах, где они эапрешены при рамановском рассеянии. Мы раэвиваем классическую теорию для этого нелинейного процесса и полученные реэультаты применяются к иоследованию псляритона при 1065 cm⁻¹ в амопфном кварце. Эксперименталвные данные, имеюшие точносты на два порядка лучше предыдуших реэультатов, покаэывают, что поляритоны распространяются в стекле с хорошо определенным волновым вектором. Дисперсионная кривая поляритона и ее шириина в пространстве волновых векторов может быты олисана с помощью многоосцилляторной модели, которая учитывает неоднородную ширину уровней, воэникющую иэ-эа неупорядоченности.

     

Raman scattering studies of sodalite for crystal structure and coloration mechanism

Summary Group-theoretical study of the vibrational modes of chlorosodalite [Na₄Al₃(SiO₄)₃]₂ has been carried out for theT _d ¹ space group. The Raman-active modes are evaluated and comparison is made with the experimental results on sodalite. It is shown that the experimental Raman spectrum does not support the structure of sodalite to beT _d ¹ but confirms it to beT _d ¹ . Raman scattering studies were performed on X-ray irradiated As-grown single crystal of chloro-sodalite to identify the coloration mechanism. Enhancement of oxygen twisting and stretching mode intensities on X-ray irradiation indicates the formation of neutral sodium colloidal aggregate during the coloration process. The authors of this paper have agreed to not receive the proofs for correction.     

三种石斛及其提取物的红外光谱法整体结构解析与鉴定

运用红外光谱法对铁皮石斛、金钗石斛、鼓槌石斛及其两种提取物所含化学成分的红外谱图整体变化规律进行解析和鉴定。采用傅里叶变换红外光谱对三种石斛及其提取物进行结构分析及鉴别。原药材粉末一维红外光谱图反映出铁皮石斛、金钗石斛和鼓槌石斛均含有2 920,2 852,1 737和1 509 cm-1附近的特征峰;1 000~1 200 cm-1波段内的特征峰,推测三种石斛均含有脂类、芳香类和淀粉类成分。二阶导数谱进一步佐证了以上结果。根据峰强来判断三种石斛所含化合物含量的差别,得出铁皮石斛和金钗石斛中的脂类和淀粉类成分含量较鼓槌石斛高,三者中以金钗石斛的脂类成分、铁皮石斛的多糖成分含量较高。三种石斛原药材粉末二阶导数光谱中观察到1 318和782 cm-1处草酸钙的吸收峰。三种石斛的两种提取物中的成分种类和含量与其原药材均有所不同,且不同种石斛之间也存在峰形、峰位、峰强的差别。在水提醇沉提取物、无水乙醇提取物中均发现油脂类、芳香类和多糖类成分的特征吸收峰。与标准品比对分析发现,金钗石斛和鼓槌石斛的多糖成分以淀粉为主,而铁皮石斛则以黏多糖为主;三种石斛无水乙醇提取物的红外光谱分析更清楚地发现脂类成分和芳香类成分的存在,且脂类成分以金钗石斛提取物的含量相对较高。芳香类成分以鼓槌石斛提取物的含量相对较高,红外光谱整体结构解析与鉴定方法能够递进式地验证铁皮石斛、金钗石斛和鼓槌石斛所含物质结构和量的差异,适合于不同种石斛的快速鉴别及质量评价与控制。     

Vibrational Spectra and Assignments for 3,4-Dibromothiophene

Abstract

The infrared spectrum of 3,4-dibromothiophene has been studied from 4000 to 200 cm^?1. The Laser Raman spectrum has also been recorded and depolarization values have been measured. An assignment of the 21 fundamental vibrations is proposed based on group frequency correlations, Raman polarization data and comparison with the spectra of parent and some halogeno-substituted molecules.     

不同产地与采收期环草石斛的红外光谱研究

环草石斛Dendrobium loddigesii Rolfe是中药石斛的源植物之一,以茎入药,具有滋阴清热、益胃生津的功效。本文采用红外光谱法对不同产地、不同采收期的环草石斛分别进行分析比较。结果显示,不同产地环草石斛红外光谱中,1 035,1 051,1 078,1 156,1 500,1 511,1 736cm-1等附近峰的相对峰强皆有显著差异,表明不同产地环草石斛的多糖、酮、酯类等成分的组成和含量有明显差异。在二维相关红外光谱中,越南、云南、广西、贵州的环草石斛分别有7,8,8,9个自动峰,且广西环草石斛的最强峰在1 220cm-1附近,不同于其他三个产地样品(980cm-1)。不同采收期环草石斛的红外光谱中,1 034~1 023cm-1主强峰的波数,(1 617±4)cm-1次强峰的波数以及1 078(1 076,1 079)cm-1峰的有无,皆随季节呈现出明显的阶段性变化,显示了环草石斛生长过程中所含多糖、酮类等成分积累的阶段性变化规律。应用红外光谱法能较好把握环草石斛的生长状况,帮助全面了解其成分组成与含量变化,对环草石斛的合理开发与高效利用有重要意义。     

ZY前驱体的拉曼和红外光谱研究

测试和分析了多种ＺＹ（ＺｒＯ２＋２．２５ｍｏｌ％Ｙ２Ｏ３）前驱体的拉曼和红外光谱发现采用湿化学法制ＺＹ超细粉体的过程中，氢键缔合是前驱体产生团聚的主要原因，空间阻效应是聚乙二醇控制团聚生成的主要机理，同时分析了前驱体的在水洗，加热等后处理工艺中聚乙二醇的控制团聚作用。     

Coupling of the Double Bond Stretching Vibration in Divinyl Ethers

Abstract

Examination of the Infrare and Raman spectra of cis, cis-dipropenyl ether (which was produced by isomerization of diallyl ether) has produced evidence for strong vibrational coupling between the two double-bonds. This ether has strong bands it 1655 cm^?1 in the infrared and at 1691 cm^?1 in the Raman. The 1658 cm^?1 band in the Raman is about 10 fold less intense than the strong polarised band. Thus it appears reasonable to associate the strong IR and Raman bands with the asymmetric and symmetric vibrations shown.     

非化学计量比铌酸钾锂晶体的光谱特征

用顶部籽晶法生长了一批不同组成的铌酸钾锂晶体。利用近红外cw: Ti-sapphire激光研究了三种组成的经过精细抛光的晶体样品的二次谐波性质,结果表明晶体的二次谐波效应与晶体组成密切相关,Li含量越高的样品倍频效率越高。利用红外Raman光谱技术调查了晶体非线性晶格振动特征,分析了晶体中组分离子浓度对晶体红外Raman光谱特征的影响,探讨了组分离子对晶体二次谐波性质影响的原因。结果表明,晶体中位于C格位的Li离子浓度对晶体Raman光谱产生了强烈的影响,低Li含量晶体中[NbO₆]7-八面体所对应的3个Raman特征光谱线没有峰发生分裂;当晶体中Li离子浓度增加时,ν₅所对应的Raman峰有所加宽,ν₂振动模式出现分裂峰,并在100～400 cm-1范围出现小峰数量增多;当Li离子浓度接近铁电相边界时,[NbO₆]7-八面体结构接近解体,ν₅所对应的Raman峰分裂成3个峰,ν₁和ν₂振动模式发生部分分裂,在100～400 cm-1范围小峰更为突出。这些影响的本质在于晶体中Li含量的提高导致晶体中[NbO₆]7-八面体畸变程度加大,与晶体非线性光学性质相一致。     

Fourier Transform Infrared and Raman Spectra of Metal Halide Complexes of 3,5-Lutedine in Relation to Their Structures

Abstract

Fourier transform infrared (4000-200 cm¹) and Raman (3500-50 cm^?1) spectra are reported for metal(II) halide 3,5-lutidine (3,5-dimethylpyridine) complexes of the following stoichiometries: M(3,5L)₄X₂ M=Co or Ni, X=C1 or Br; M=Mn or Cu, X=Br; M=Cd, X=I; M(3,5L)₃X₂ M=Fe, X=C1; M=Cu, X=Br; Hg(3,5L) X₂ X=C1 or Br.

Vibrational assignments are given for all the observed bands. Some structure- spectra correlations are found. For a given series of isomorphous complexes the sum of the difference between the liquid and ligand values of the vibrational modes of 3,5-lutidine is found to increase in the order of the second ionization potentials of the metals. The frequency shifts are also found to depend on the halogen.     

银(Ⅰ)、镉(Ⅱ)4-巯基吡啶配合物的光谱研究

采用常规溶液反应蒸发法以4-巯基吡啶(简写为4-MPy)为有机配体与银、镉的硝酸盐合成了两种金属有机配合物。并利用红外、拉曼、紫外-可见光谱技术对4-MPy及合成的配位化合物进行了研究,对主要红外和拉曼谱带进行了经验归属,并进一步讨论了配体和配合物的特征吸收谱带与配合物结构间的关系。在红外光谱中,配体在1 459cm-1处的吸收峰归属为CC和CN复合振动峰,形成配合物后在两种配合物中,此吸收峰分别向高波数位移至1 464和1 464cm-1。在拉曼光谱中,两种有机配位化合物在1 004和1 008cm-1处归属为环呼吸振动峰、在1 617和1 615cm-1处归属为环伸缩振动峰、在720和720cm-1处归属为β(C—C)和ν(C—S)的复合振动峰,各自十分相似。     

准分子激光辐照PVDF的拉曼和红外光谱研究

通过测量KrF准分子激光辐照前后PVDF的拉曼光谱和红外光谱,分析了PVDF经激光辐照后表面电导率大幅度提高的机理;采用逐点扫描拉曼成像技术,确定出激光辐照后PVDF的导电层厚度约为7.5μm。在拉曼光谱、扫描电镜和X射线能谱综合表征基础上,发现激光辐照后PVDF表面呈现出复合型微结构。     

Infrared absorption and water structure in aerosol OT reverse micelles

Summary The structure of water in bis(2-ethylhexyl)sodium sulfosuccinate (AOT) micelles has been studied as a function of the [H₂O]/[AOT] ratio (W) by using the absorption IR due to O−H stretching modes in the 3800–3000 cm⁻¹ range. Three systems have been studied: water/AOT/carbon tetrachloride, water/AOT/n-heptane and water/AOT iso-octane. Experimental spectra are presented and discussed for the O−H stretching region both of H₂O and isotopically diluted HDO molecules in D₂O. We have restricted ourselves to the region of small amounts of water (0<W<20) where the properties of the systems change strongly with the water content. The results show that IR spectra can be expressed as sum of contributions from interfacial and bulk-like water. The fraction of water in the two “regions” within the water pool was evaluated as a function ofW. From the data a continuous variation appears in the water properties inside micellar cores rather than a two-steps hydration mechanism. The solubilization of water is described in terms of hydration of the AOT head group and Na⁺ counterions. The maximum hydration number of AOT was found to be 3.5. The same behaviour has been observed in the three solvents studied.     

Lattice dynamical study of Sr2B′UO6 (B′=Ni, Co) double perovskites

A short range force constant model has been used within the normal coordinate analysis framework for the first time to investigate the lattice dynamics of Sr₂B′UO₆ (B′=Ni, Co) double perovskites having space group P2_1/n. The zone centre phonons have been calculated with ten stretching force constants and eight bending force constants in the nickel compound and ten stretching and nine bending force constants in cobalt compound. The theoretically obtained values of Raman and infrared wave numbers exhibit a satisfactory agreement with the experimental values. A complete assignment of these frequencies to specific modes has also been made.     

有机硼酸盐插层Zn/Al-LDH的红外和拉曼光谱特征

研究了碳酸根和硼酸根的二元锌铝水滑石的X射线衍射,拉曼和红外光谱特征。采用一步水热共沉淀法,分别制得结晶良好的层间为碳酸根和硼酸根的二元锌铝水滑石。X射线衍射分析显示,硼酸根插层后水滑石（003）特征衍射峰向小角度移动,峰型尖锐,水滑石通道高度从0.28 nm增加至0.42 nm;红外光谱和拉曼光谱特征表明,硼酸根插层后,碳酸根的红外和拉曼特征峰消失。层间硼酸根以B₃O₃(OH)-₄,B₄O₅(OH)2-₄和B(OH)-₄三种形式存在。随层间离子的不同,与羟基相关的红外光谱和拉曼光谱峰位均有所改变。研究结果表明以硼酸三正丁酯为插层剂,可获得单一相、纯度较高的硼酸根型锌铝水滑石,拉曼光谱可准确探测水滑石层间阴离子变化对其结构和性能的影响。     

Vibrational Spectra of and Isotope Effect in Hydrogen Bonded Potassium Hydrogen Oxalate

The crystal structure of potassium hydrogen oxalate, KHC₂O₄, has been determined by Pedersen¹. There are infinite chains of hydrogen oxalate ions held together by short (2. 534 Å) hydrogen bonds. The O-D‥O distance of KDC₂O₄ derived from lattice constant changes is estimated to be about 0.005 Å larger than the O-H‥O distance which means that the isotope effect is small¹. We believe, however, on the ground of the infrared and Raman spectra of KHC₂O₄ and KDC₂O₄ repotted in this paper, that the isotope effect in these crystals is much larger.