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周睛 《光谱学与光谱分析》1987,(1)
将含畸形杂质的高分子分为杂质与均聚链两个相互作用的部分,采用格林函数运动方程法来求解杂质振动模的红外吸收强度。一般情况下,杂质和链相互作用产生杂质吸收频率位移,并具一定的线宽。 相似文献
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测量了2-烷基TCNQ(C8TCNQ,C12TCNQ,C18TCNQ)浇铸膜的红外光谱,发现这类化合物的红外CH2剪式振动在1 471和1 462 cm-1处显示2个峰。这2个峰的强度比(I1 471/I1 462)随着烷基链的长度增加而明显减少。另外,来自CH2的1 471 cm-1吸收峰与来自TCNQ环的1 529 cm-1吸收峰的相对强度随着碳链的长度增加而不发生变化。CnTCNQ系列化合物的红外光谱CH2的剪式振动行为与长链脂肪酸中CH2行为很不相同。在长链脂肪酸中,晶体场效应导致了剪式振动分裂。考虑C12TCNQ的晶体结构,而将1 471cm-1峰归属为非叉指对接的碳链,将1 462 cm-1峰归于叉指对接的碳链,双峰的出现与晶体场分裂无关。并且得到烷基TCNQ中,非叉指对接的碳链的长度与碳链总长度无关的结论。 相似文献
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我们采用传统的助熔剂合成方法制备单斜RbInS2、CsInS2晶体并对它们的红外光谱和拉曼光谱进行研究。与RbInS2相比,CsInS2的红外吸收峰和拉曼吸收峰向长波方向移动。红外光谱和拉曼光谱均表明单斜RbInS2、CsInS2具有很好的红外透过性能。 相似文献
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本文研究了一种描写过渡金属原子在离子晶体上的化学吸附模型。其中离子晶体用半无限A—B交替原子链代表,而吸附原子d轨道电子间的库仑排斥作用则用Anderson-Newns方法表述。对d轨道电子与晶体表面相互作用的几种不同耦合常数,用自洽格林函数方法计算了化学吸附能和吸附原子的电荷转移量。讨论了各种自洽解的存在条件和性质,得到了一些有趣的定性结论。
关键词: 相似文献
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研究蛋白质水溶液的红外光谱(IR)谱时,由于溶剂水的强吸收与蛋白质的吸收峰会发生严重重叠,极大地干扰对蛋白质吸收峰的识别、定性、定量和结构分析.尝试利用杂化光谱法扣除溶剂水峰.采用双背景方法,用空白ATR晶体(背景样品1)与ATR水层(背景样品2)合成了单光束杂化背景谱,通过控制对背景样品1和背景样品2的扫描次数,合成... 相似文献
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制备了周期为10 μm、孔径7.8 μm左右的二维金属镍(Ni)光子晶体(正方形晶格),并通过电镀方法增加Ni膜的厚度至约3 μm,考察了光子晶体的红外特性及其对水溶液中硝酸根(NO-3)红外吸收特性的影响。实验结果表明,当光垂直入射光子晶体时,在1 450 cm-1附近出现透射峰,该透射峰正好处于水溶液中NO-3的反对称伸缩振动频率范围(1 300~1 500 cm-1);经过光子晶体对红外光的调制,1 300~1 500 cm-1处的红外光透射率与NO-3的反对称伸缩振动的红外吸收强度变化趋势基本一致,表明光子晶体对红外光强度的调制可以改变水溶液中NO-3的红外吸收强度。 相似文献
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通过研究提拉法生长的掺杂Ti浓度为0.2at%的LiAlO2晶体吸收光谱,荧光光谱和红外光谱,来分析此新型晶体的结构.分析发现光谱中仅出现了四价Ti离子的196nm的特征吸收峰,用235nm光激发得到384nm的特征发射峰;针对吸收光谱中660-820nm出现的四个弱小吸收峰提出了一个色心模型,从而解释了空气和富Li气氛处理后吸收峰消失的现象;对比纯LiAlO2晶体的红外光谱发现,Ti的掺入仅影响了[AlO4]键强,而[LiO4]及相关键强几乎不变;结合ICP测试估算出直径50mm,厚1mm的Ti:LiAlO2的Li空位为5.5×1020个. 相似文献
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通过研究提拉法生长的掺杂Ti浓度为0.2at%的LiAlO2晶体吸收光谱,荧光光谱和红外光谱,来分析此新型晶体的结构.分析发现光谱中仅出现了四价Ti离子的196nm的特征吸收峰, 用235nm光激发得到384nm的特征发射峰;针对吸收光谱中660—820nm出现的四个弱小吸收峰提出了一个色心模型,从而解释了空气和富Li气氛处理后吸收峰消失的现象;对比纯LiAlO2晶体的红外光谱发现,Ti的掺入仅影响了[AlO4]键强,而[LiO4
关键词:
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色心
光谱 相似文献
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以30%和95%的穿心莲内酯为实验原料,采用超临界CO2萃取结晶法考察了不同压力下穿心莲内酯在结晶板上的分布规律,同时也考察了晶体的晶型和红外光谱的变化规律。研究证实: 高效液相色谱分析,不同压力下穿心莲内酯在结晶板上都按纯度梯度结晶分布;X射线衍射分析,压力越高,晶体越趋于向比较单一的晶面上择优生长;红外光谱分析,压力的变化,并没有引起穿心莲内酯化学结构的改变。 相似文献
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籍助于原子吸收法及X射线光电子能谱(XPS)的分析,比较了CdTe晶体制备的不同工艺条件。根据红外光谱和光致发光光谱的测量结果,对不同方法制备的CdTe晶体质量作了评价。 相似文献
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An expression for the Green’s function of a disordered crystal is obtained with allowance for the electron-electron interaction. The electron states of the system are described in the framework of a multiband tight-binding model. The possibility of using the proposed approach for describing the energy spectrum of molecules is demonstrated in the limit of an infinitely large primitive cell of the crystal. The energy spectrum and effective charges of atoms of a tricyanobutadienecarbazole molecule are calculated. 相似文献
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利用自行设计的反应器研究了高温条件下水蒸汽对无水五硼酸钾晶体结构的影响,借助于X射线衍射、红外光谱、Raman光谱等手段分析了无水五硼酸钾晶体高温性质的振动光谱。在水蒸汽的作用下,五硼酸钾的B2O3/K2O(摩尔比)变小,X射线衍射分析表明750 ℃时晶体中有K5B19O<sub>31存在,而红外光谱与Raman光谱分析表明由于水蒸汽的作用使得晶体中的三角形B(3)—O结构单元向四面体B(4)—O结构单元转变,四面体的B(4)—O含量增加并且硼氧网络结构被进一步打断。 相似文献
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Klimin S. A. Radionov M. S. Yakovlev V. A. Novikova N. N. Peschanskii A. V. 《Optics and Spectroscopy》2021,129(1):42-46
Optics and Spectroscopy - The results of an experimental study of the phonon spectrum of a LiNiPO4 single crystal by infrared (IR) reflection spectroscopy are presented. Spectroscopic parameters of... 相似文献
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E7 is a room temperature nematic liquid crystal that presents both a high temperature nematic-to-isotropic transition and a high positive dielectric anisotropy. The optical characteristics of this liquid crystal have been widely investigated in the visible region of the spectrum, while less experiments have been performed in the middle infrared spectral region, where, nevertheless, potential applications are important. We investigate the self-focusing of a middle infrared laser beam when it passes through a film of E7. We also take into account the heating of the liquid crystal film caused by the partial absorption of the laser light by means of a thermographic technique. A theoretical interpretation of the self-focusing phenomenon is given in terms of the reorientation of the molecules with respect to their unperturbed direction and an estimation of the average value of the elastic constants of the liquid crystal is given by fitting the experimental data with the theoretical model.Received: 16 April 2003PACS:
42.70.Df Liquid crystals - 42.65.-k Nonlinear optics - 42.55.Lt Gas lasers including excimer and metal-vapor lasers 相似文献
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The infrared absorption spectrum of the sodium uranyl acetate single crystal was studied experimentally at room temperature. The group-theoretical method is used to interpret the splitting of several bands in the spectrum into three components. The vibrations noted in the infrared spectrum are associated with types of symmetry.In conclusion, the authors thank Academician AS BSSR A. N. Sevchenko for his unflagging interest in the present investigation. 相似文献
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M. Manikandan G. Vijaya Prasath G. Bhagavannarayan N. Vijayan T. Mahalingam G. Ravi 《Applied Physics A: Materials Science & Processing》2012,108(4):1015-1020
A nonlinear optical bimetallic thiocyanate complex crystal, cadmium manganese thiocyanate (CMTC) has been successfully synthesized. The growth of single crystals of cadmium manganese thiocyanate has been accomplished from aqueous solution using slow evaporation method. The presence of manganese and cadmium in the synthesized material was confirmed through energy dispersive spectrum (EDS) analysis. Structural analysis was carried out using powder X-ray diffractometer (PXRD) and crystalline perfection of the grown crystals was ascertained by high-resolution X-ray diffraction (HRXRD) analysis. Fourier transform infrared (FTIR) spectrum was taken to confirm the functional groups. The transmittance spectrum of the crystal in the UV–visible region has been recorded and the cutoff wavelength has been determined. The dielectric measurements for the crystals were performed for various frequencies and temperatures. The mechanical properties were evaluated by Vickers microhardness testing, which reveals hardness and stiffness constant of the crystals. 相似文献