The effect of an anti-hydrogen bond on Fermi resonance： A Raman spectroscopic study of the Fermi doublet v1-v12 of liquid pyridine

The effects of an anti-hydrogen bond on the v1 v12 Fermi resonance （FR） of pyridine are experimentally investigated by using Raman scattering spectroscopy. Three systems, pyridine/water, pyridine/formamide, and pyridine/carbon tetrachloride, provide varying degrees of strength for the diluent-pyridine anti-hydrogen bond complex. Water forms a stronger anti-hydrogen bond with pyridine than with formamide, and in the case of adding non-polar solvent carbon tetrachloride, which is neither a hydrogen bond donor nor an acceptor and incapable of forming a hydrogen bond with pyridine, the intermolecular distance of pyridine will increase and the interaction of pyridine molecules will reduce. The dilution studies are performed on the three systems. Comparing with the values of the Fermi coupling coefficient W of the ring breathing mode v1 and triangle mode v12 of pyridine at different volume concentrations, which are calculated according to the Bertran equations, in three systems, we find that the solution with the strongest anti-hydrogen bond, water, shows the fastest change in the v1-v12 Fermi coupling coefficient W with the volume concentration varying, followed by the formamide and carbon tetrachloride solutions. These results suggest that the stronger anti-hydrogen bond-forming effect will cause a greater reduction in the strength of the v1-v12 FR of pyridine. According to the mechanism of the formation of an anti-hydrogen bond in the complexes and the FR theory, a qualitative explanation for the anti-hydrogen bond effect in reducing the strength of the v1 - v12 FR of pyridine is given.     

光纤中的拉曼效应

在液芯光纤内产生拉曼效应,可以增强自发拉曼、共振拉曼光谱强度10^3倍;降低受激拉曼光谱荫值功率为10^-1．光纤内拉曼效应在科学研究和教学方面都有广泛应用．     

低浓度样品拉曼光谱的实验研究

在液芯光纤内产生共振拉曼效应,可以提高拉曼光谱强度１０＾９倍。测定了１０＾－１０－１０＾－５ｍｏｌ／Ｌ浓度样品的拉曼光谱。实验结果表明,β－胡罗卜素在ＣＳ２中１５２０ｃｍ＾－１拉曼线的强度（散射系数）、频移、线宽随浓度降低而发生变化。     

丙酮CO键在溶剂中频移变化的几种理论模型比较

测量了丙酮在16种溶剂中CO键的伸缩振动拉曼光谱,并且在Gaussian03程序下采用自恰反应场方法(SCRF)对丙酮在各种溶剂中的拉曼光谱进行了理论计算。用三种溶剂模型的电子给体-受体模型、Kirkwood模型和自恰反应场模型对实验结果进行了分析比较,结果表明Gutmann提出的电子给体-受体模型与实验结果符合的最好,而自恰反应场理论结果要好于Kirkwood模型。通过对三种模型的机理进行分析,得出给体-受体模型在解释电负性比较强的分子键振动光谱比较好,自恰反应场模型不但考虑了介电常数ε,而且考虑了分子大小、构型等因素的影响,模型复杂,计算量比较大,但是因为考虑的因素比较多,所以与实验结果也符合的比较好,而Kirkwood模型的主要参数为ε,模型简单,计算简便,能大致反映频移的趋势,说明介电常数是影响频移的一个主要因素。     

溶液浓度对拉曼光谱线宽和频移影响的实验研究

将液芯光纤技术用于傅里叶变换拉曼光谱测量中,提高拉曼光谱强度10²～10⁴倍.应用该技术,在实验上研究了溶液浓度变化对β-carotene,rhodamine在CS²中的CC键π-π^*跃迁拉曼线频移和线宽的影响.实验结果表明,随着浓度降低(1×10^-7～1×10^-12mol/L),拉曼光谱线峰值发生红移,线宽变窄.     

高压下Fe73.5Cu_1Nb_3Si13.5B9纳米晶合金的形成

采用X射线衍射、电子衍射及透射电子显微技术研究了Fe73 .5 Cu1Nb3 Si13 .5 B9非晶合金在 82 3K ,1～ 5GPa下退火所形成的纳米晶结构 ,高压实验采用Belt型压力装置 .结果表明 ,压力没有改变合金结晶相的类型 ,但对其纳米晶结构的形成有重要影响 .当压力从常压增加到 5GPa时 ,结晶相α Fe固溶体 (α Fe相 )的尺寸从 1 1 .5nm减小至 5nm .当压力低于 2GPa时 ,α Fe相的体积分数随压力的增高而增加 ,然后随压力进一步增高 (P >2GPa)而减小 .还讨论了压力影响Fe73 .5 Cu1Nb3 Si13 .5 B9纳米晶合金形成的机制 .     

生物无毒性高分子膜的紫外光透过性能研究

本文对PVA、PAN等几种高分子膜的紫外光透过性能进行了实验研究,为高分子膜在生物领域找到了新的应用,在选择透紫外光膜时,一方面要考虑高分子的分子结构,另一方面要考虑膜孔、膜厚等膜结构参数。     

Luminescence Properties of Ca4GdO（BO3）3：RE （RE=Eu^3＋,Tb^3＋） under VUV Excitation

We experimentally investigated the VUV excitation luminescence properties of Ca4 GdO(B03)3 :RE (RE=Eu^3 , Tb^3 )Ca4GdO(BO3)3:Eu3 and Ca4GdO(BO3)3:Tb^3 emitted bright red and green colour light, respectively, under 172 nm excitation, resulting from the favorable position of the host absorption band (186 nm) and efficient energy transfer from Gd^3 to activators (e.g. Eu^3 or Tb^3 ) by means of secondary absorption in the Ca4GdO(BO3)3 matrix. The f-d transitions of Eu^3 and Tb^3 in the host lattice are depicted.     

正交递归选择法及其应用

本文提出一种新的变量筛选法－正交递归选择法，该法可以得到预报能力较强的模型，即ＰＲＥＳＳ（预报残差平方和）值较低的模型。用该法处理构效关系问题，并与逐步回归正向选择法及ＰＬＳ回归法进行了比较，得到满意的结果。