Microwave spectrum and structure of furfural

The microwave spectrum of furfural was investigated in the frequency range 7 GHz-21 GHz and 49 GHz-330 GHz. The ground and first torsional state of trans-furfural and ground state of cis-furfural were assigned and analyzed. A total of 1720 rotational lines with J up to 100 and K_a up to 53 were assigned to the ground state of trans-furfural, 1406 rotational lines with J up to 100 and K_a up to 48 were assigned to the first torsional state of trans-furfural and 2103 rotational lines with J up to 90 and K_a up to 48 to the ground state of cis-furfural. Accurate sets of centrifugal distortion constants for both conformations have been determined for the first time. The spectra of all ¹³C and ¹⁸O singly substituted isotopic species were observed in natural abundance in the 7 GHz-21 GHz range. Molecular structure co-ordinates, bond lengths and angles of the Kraitchman substitution type (r_s) and pseudo-Kraitchman type (r_pKr) are derived from the isotopic studies.     

基于可见光-近红外光谱的BIF磁性率确定方法研究

铁矿中磁性率是评价铁矿床工业价值和划分矿石工业类型的重要指标。传统的磁性率测定法存在工作量大、效率低、周期长的缺陷,成为经济、合理、高效开采铁矿资源的瓶颈问题。采用便携式地物光谱测试仪对辽宁省鞍钢集团鞍千矿业有限责任公司的BIF实验样品进行可见光-近红外光谱测试,分析了光谱特征,构建了比值指数(RI)、差值指数(DI)和归一化指数(NDI),并确定光谱指数与样品磁性率相关性最显著的敏感波段及对应的相关系数值;优选出与样品磁性率相关性最显著的比值指数(RI),构建实验样品磁性率的定量反演模型,并进行了验证。结果表明,三种光谱指数与样品磁性率敏感波段均位于935与1 050 nm,且该波段处的相关系数均达到0.9以上,其中比值指数与样品磁性率的相关性最高;基于比值指数构建的实验样品磁性率定量反演模型的预测误差为0.038,反演磁性率与实测磁性率的判定系数(R2)为0.964 5,预测结果比较理想。为确定BIF的磁性率提供了一种新方法,该方法具有工作强度小、经济、高效、便捷的优点,且对遥感找矿具有一定指导意义。     

拉曼光谱在文物考古领域的应用态势分析

对截止2015年3月拉曼光谱在文物考古领域应用的文献进行了梳理,分析了国内外拉曼光谱在文物考古领域的应用态势。从SCI/SSCI期刊库及中国知网期刊库及特刊库,检索了涉及拉曼光谱在文物考古领域应用的英文文献992篇,中文文献160篇。采用文献计量学的方法,分析了文章发表的年代分布、期刊分布、研究机构分布以及研究机构之间的合作关系、文章被引频次等状况;比较了国家地区之间研究实力的差异,国内外研究水平的差距。结果表明,进入21世纪以来,国内外拉曼光谱在文物博物馆领域的应用均显著增加,但国内与国外在文章发表数量、被引频次等指标上均尚存在一定差距。文献分析的结果同时也表明,在该领域存在着机构间、国家间等不同层面的广泛合作。以上结果可以为今后国内文物博物馆领域提高拉曼光谱的应用水平提供参考。     

正负电子湮灭过程的核子激发态N*产生(英文)

目前,正负电子湮灭过程的核子激发态N*产生的实验数据主要来自于粲偶素能区。粲偶素衰变到核子激发态过程类似于其类时电磁形状因子测量过程,正反粲夸克短程湮灭提供了近乎于点源的胶子强子化过程。与γN,eN,πN反应互补,这一新的N*产生源具有同位旋和低自旋筛选的优势。综述了正负电子湮灭过程的核子激发态N*产生的实验情况和相关的唯象进展,同时讨论未来发展的一些新方向,如正负电子湮灭过程的核子激发态N*产物的一些新来源等。Up to now, the N* production from e+e- annihilations has been studied only around charmonium region. Charmonium decays to N*s are analogous to (time-like) EM form factors in that the charm quark annihilation provides a nearly pointlike (ggg) current. Complementary to other sources, such as πN, eN and γN reactions, this new source for N* spectroscopy has a few advantages, such as an isospin filter and a low spin filter. The experimental results on N* from e+e- annihilations and their phenomenological implications are reviewed. Possible new sources on N* production from e+e- annihilations are discussed.     

用Bragg光纤测量气体浓度

基于气体的光谱吸收特性,本文提出了一种采用Bragg空芯光纤作为吸收池的新型光纤气体传感器.运用解析法和微扰分析法求解了Bragg空芯光纤中的相对灵敏系数.由于场分布主要集中在芯区,对气体损耗较为敏感,因此,这种光纤气体传感器具有灵敏度高、快速响应、结构简单的特点.耦合多个波长可实现对多种气体同时测量.     

LIBS/Raman光谱对称零面积变换自动寻峰方法研究

自动寻峰是进行光谱原位探测、实时自动分析的必要环节,对拓展光谱分析技术到长期海洋监测、石油录井等应用领域具有重要意义。该研究以实验室中获得的LIBS/Raman光谱数据,对Gaussian,Lorenz,Voigt三种线型函数构建的对称零面积变换函数进行了比较研究。结果证明各个光谱峰都存在一个最优的对称零面积变换函数,但三种变换函数在各自的最优化参数下获得的峰位、峰宽一致;以实验室中LIBS和Raman光谱定量实验数据对该方法的测试还证明,对称零面积变换寻峰方法对信号的大范围动态变化适应性强,弱峰识别能力达到或优于人工识别水平,有望应用于将来的LIBS/Raman自动原位分析中去。     

K_2(9~1∑~+_g)高位电子态与H_2碰撞中H_2的能量分布

光学-光学双共振激发K2到91∑+g高位态,研究了K2(91∑+g)与H2的电子-振转碰撞能量转移。利用相干反斯托克斯(CARS)光谱技术探测H2的振转态分布,扫描CARS谱表明H2在(1,1)、(2,1)、(2,2)、(3,1)、(3,2)、(3,3)和(3,5)能级上有布居。由时间分辨CARS轮廓得到H2各振转能级上粒子数之比,得到H2的平均振动能和平均转动能分别为9063cm-1和388cm-1。从91∑+g→11∑+u、11∑+u→11∑+g、33∏g→13∑+u跃迁的时间分辨激光感应荧光(LIF)强度得到它们的自发辐射率和碰撞转移率。在H2压强为3×103Pa时,K2(91∑+g)与H2的碰撞转移能为16930cm-1。H2的平均振转能占平均转移能的56%。     

壳聚糖亚胺环钯化合物的合成与表征

用水杨醛接枝改性后的壳聚糖亚胺与Li₂PdCl₄甲醇溶液反应得到壳聚糖环钯化合物。壳聚糖、壳聚糖席夫碱及其钯化合物用红外光谱(IR)、X射线衍射光谱(XRD)、热分析(DTA-TG)、荧光光谱以及X射线光电子能谱(XPS)等分析手段进行了表征分析。根据表征结果提出了席夫碱及壳聚糖亚胺环钯化合物的结构。     

用偏光织构及透射光谱分析液晶器件的老化

对一组台式计算器液晶显示器进行了光辐照,研究了光辐照对液晶显示器件显示品质的影响。采用偏光显微镜观察到了辐照后液晶的偏光织构的变化,液晶中出现了平行的条纹状织构和失去消光作用的黑洞,随着接受光辐照时间的增加,黑洞数量越来越多,面积越来越大。通过由计算机控制的双光束紫外-可见分光光度计测试了透射光谱的变化,发现其透射率随着接受光辐照时间的增加而降低。分析结果表明,条纹状织构和黑洞的出现是由于液晶分子结构在紫外线的照射下发生了变化所致,失去消光作用的黑洞是导致液晶器件透射率持续下降的主要原因。     

The criteria for selecting a method for unfolding neutron spectra based on the information entropy theory

To further expand the application of an artificial neural network in the field of neutron spectrometry, the criteria for choosing between an artificial neural network and the maximum entropy method for the purpose of unfolding neutron spectra was presented. The counts of the Bonner spheres for IAEA neutron spectra were used as a database, and the artificial neural network and the maximum entropy method were used to unfold neutron spectra; the mean squares of the spectra were defined as the differences between the desired and unfolded spectra. After the information entropy of each spectrum was calculated using information entropy theory, the relationship between the mean squares of the spectra and the information entropy was acquired. Useful information from the information entropy guided the selection of unfolding methods. Due to the importance of the information entropy, the method for predicting the information entropy using the Bonner spheres' counts was established. The criteria based on the information entropy theory can be used to choose between the artificial neural network and the maximum entropy method unfolding methods. The application of an artificial neural network to unfold neutron spectra was expanded.