4－羧基杂氮硅三环中羧基红外光谱的研究

１－甲基及１－乙烯基－４－羧基杂氮硅三环在１６４５～１６３５ｃｍ－１均有与４－羧基相联系的弱吸收。对１－氯烷基取代物在上述范围的红外光谱研究表明，此吸收应归属于氢键存在下羧基上Ｃ＝０的伸缩振动，这种氢键形成于４－羧基与另一杂氮硅三环的桥氧之间，给杂氮硅三环化合物的质子化机理提供了直接证据。     

太赫兹技术对二甲基苯甲酸六种同分异构体的识别

选取了在化工、医药生产中常见的中间体——二甲基苯甲酸作为研究对象,利用太赫兹时域光谱（THz-TDS）系统研究了室温条件下,二甲基苯甲酸的六种同分异构体在太赫兹波段的吸收光谱。实验结果表明,在0.2～2.2 THz波段范围内,六种物质的特征频谱响应有非常明显的区别,而红外光谱仪的测量结果则显示,在1 450～1 700 cm-1波段范围内不同的异构体表现出相似的吸收特征。利用密度泛函理论(DFT)对六种物质的吸收频谱进行计算,并对它们的吸收峰产生的原因进行分析,可知在1 450～1 700 cm-1范围内六种物质的吸收峰均是由苯环的骨架伸缩振动和羧基上CO的伸缩振动引起的,而在0.2～2.2 THz波段,由于六种物质分子中整个苯环与相对位置不同的三个支链之间存在面外相对摆动,造成了集体振动模式的差异,从而表现出不同的吸收特征。通过分析发现,六种样品在两个频率范围分别表现出的差异和相似的吸收特征,源于其分子结构间的差异性和相似性,而利用太赫兹波段吸收特征的差异,可以实现对二甲基苯甲酸六种同分异构体的鉴别。上述研究结果表明,利用太赫兹和红外光谱技术研究同分异构体光谱特性的差异性和相似性是可行的,也为快速鉴别二甲基苯甲酸异构体种类和检测该化工中间体的纯度提供了一条有效的途径。     

杭州湾水体光谱高频观测及在悬浮物动态变化监测中的应用

现场光谱观测是水色遥感真实性检验的基础。传统基于航次站位观测获取的水体光谱数据少,难以满足快速变化的近岸水体遥感产品真实性检验的需求。为此,国际上开始发展水体光谱连续观测系统,但目前近岸水体光谱连续观测系统仍较少,特别是在高浊度、高动态的水体。针对该问题,在杭州湾建立了一套基于海上塔台的高浑浊水体光谱高频观测系统。该系统每3 min获取一次水体光谱数据,实现与过境卫星观测时间的匹配。本文重点开发了基于海上塔台特点的水体光谱高频观测数据的处理方法,实现了晴空、耀斑、阴影、弱光照等自动判别,并对处理结果进行了检验。结果表明,塔台观测获得的归一化离水辐亮度光谱与船测结果具有较高的一致性,相关系数大于0.99, 平均相对误差为9.96%。此外,对塔台水体高频观测系统的长期观测能力进行了评价,结果表明,尽管系统运行一年之久,系统与便携式地物光谱仪ASD同步观测获得的水体归一化离水辐亮度在谱形和数值上一致性均较好,相关系数大于0.90,平均相对误差为6.48%。同时,利用系统高频观测的水体光谱可有效监测悬浮物浓度随潮汐的快速动态变化。杭州湾塔台水体高频观测系统为进一步开展浑浊水体水色卫星遥感产品真实性检验提供了丰富的现场光谱数据,特别是高时间分辨率的静止轨道水色卫星遥感产品的真实性检验。     

基于3G-ASCX的小型飞行器异常导航信号检测系统设计

传统方法在异常导航信号信噪比较低时对小型飞行器异常导航信号的检测效果不理想。设计并实现了一种基于3G-ASCX的小型飞行器异常导航信号检测系统,硬件设计时着重于ASCX传感器模块、异常导航信号检测模块、主控基站模块、3G/GPRS传输模块的研究,3G/GPRS传输模块的硬件设计中,通过功耗低体积小的CC1100完成异常导航信号的收发,传输过程中通过芯片STC12C5410AD完成电容的平衡转换,选取了MC3486进行电压的转换,最终实现异常信号数据的安全快速传输;软件设计中,系统软件流程设计及异常导航信号检测模块软件设计,最后进行仿真实验,实验结果证明,相比传统系统,所设计系统检测到的小型飞行器异常导航信号同实际测量的异常导航信号具有较高的匹配度,与实际值相比,误差小于1dB,适合推广使用。     

近红外光谱分析技术识别奶粉中淀粉掺假的研究

将蒙牛、伊利、完达山三个品牌的奶粉样品掺入不同量的淀粉构成32份实验样品。在跨度近两个月时间内,用JDSU微型近红外光谱仪,分五天重复5次采集这些样品的中波近红外漫反射光谱。采用仿生模式识别（BPR）算法对样品进行掺假识别定性分析,并研究了分析的可靠性与模型的稳健性。以90%作为评价分析结果（样品掺杂的正确识别率 CAR与正确拒识率 CRR）的阈值：将测试结果高于此阈值的所有样品中掺入淀粉的最低含量分别称为样品掺杂的正确识别限与正确拒识限。结果显示：三个品牌奶粉样品分别各自建模时,若用同一天测定的部分光谱数据建立模型,预测该天剩余光谱,样品掺杂的正确识别限与正确拒识限都可以达到0.1%。对于三种品牌奶粉合并后的纯奶粉及其淀粉掺杂样品混合建模时,若用同一天测定的光谱建模与测试,样品掺杂的正确识别限也可以达到0.1%,正确拒识限则为1%;若用不同时间采集的光谱进行交叉测试,正确识别限与正确拒识限都只有5%;若用四天的光谱数据联合建模,测试第五天的数据,正确识别限可以稳定达到1%,正确拒识限可以达到5%。应用两种算法对奶粉中淀粉含量进行定量分析比较,进一步验证了有关定性分析对样品掺杂正确识别限和正确拒识限的可靠性。     

Complex-number asymmetry parameters of the optical Fano effect in ring resonators

We studied the sharp asymmetric Fano line shape in fiber ring resonator systems and provided an explicit expression for asymmetry parameters using the physical parameters of the system. The fiber ring system was controllable and reconfigurable, allowing us to produce a variety of Fano line shapes in different configurations. Experimentally observed asymmetric spectral structures were fully reproduced using the complex-number asymmetry parameters, validating the approximations used to reduce the analytical expression for the line shape to the phenomenological Fano formula. The results may be useful in the design of on-chip application systems.     

Vibrational spectroscopy studies of a pressure-induced disproportionation reaction of LaH2

The pressure-induced disproportionation reaction of LaH₂ was investigated by infrared reflection and Raman measurements at ambient temperature. The relative reflection intensity in the 4000-6000 cm⁻¹ region began to decrease significantly at a pressure of about 12 GPa and fell to 10% of the initial value at 20 GPa. Absorption peaks, which appeared around 1200 and 700 cm⁻¹ at pressures above 14 GPa, were assigned to the hydrogen vibrations at the tetrahedral and octahedral sites of the fcc metal lattice, respectively. The peak frequencies measured in the 14-30 GPa range were similar to those observed in LaH₃. These infrared results indicated insulating LaH₃ precipitated from metallic LaH₂. Above 20 GPa, a Raman peak related to the hydrogen vibration in the octahedral sites appeared around 700 cm⁻¹, and was likely due to lattice distortion. The disproportionation reaction of LaH₂ into and solid solution LaH_x (x<1) was confirmed.     

Tailoring optical properties of TiO2 nanowires coated with Ag nanoparticles by plasmon coupling of Ag nanoparticles

TiO₂ nanowires were grown on titanium foil by an alkali hydrothermal growth method. The as-synthesized nanowires are structurally uniform with diameters of 50-100 nm and lengths of up to a few micrometers. The as-prepared TiO₂ nanowires were coated with Ag nanoparticles by reducing AgNO₃ in solution. The experimental results indicate that the Ag nanoparticles can aggregate together on the surfaces of TiO₂ nanowires by interconnection between nanoparticles. The degree of aggregation of Ag nanostructures can be controlled by changing the concentrations of Ag nanoparticles. The as-prepared nanostructures exhibit a wide optical absorption from 387 to 580 nm that can be easily tuned by controlling the degree of aggregation of Ag nanostructures. The results reveal that optical properties of the Ag-coated TiO₂ nanowires can be enhanced by plasmon coupling of Ag nanoparticles. The as-prepared nanostructures may find potential applications in the field of solar cells.     

3,4-二氯-1,2,5-噻二唑的结构及其振动光谱

实验测量了3,4-二氯-1,2,5-噻二唑分子4000～400 cm-1区域内的红外光谱和3700～100 cm-1范围内的拉曼光谱,使用密度泛函理论计算了分子的稳定结构和振动频率.以实验测定频率为标准采用简正振动分析方法得到了各振动谱带的总能量分布,从而对该分子的振动频率做出了全面归属.     

Spectral target-detecting system using sine-wave modulation

Target detection is one of the key technology of precision chemical application.Previously the digital coding modulation technique was commonly used to emit and receive the optical signal in the target detection systems previously in China.It was difficult to adjust the output power,and the anti-interference ability was weak in these systems.In order to resolve these problems,the target detection method based on analog sine-wave modulation was studied.The spectral detecting system was set up in the aspects ...