氢同位素球形靶丸在其相应高能离子轰击下的消融

本文采用跨音速中性气体屏蔽模型,得到了氢同位素球形靶丸在其相应高能离子轰击下的消融率G_(is)及其定标律,s可为氢或氘。计算表明,当离子与电子的未扰态能量E_(0s)/E_(0e)~2≥1.5时,G_(is)/G_(es)≥20％,G_(es)为靶丸在等离子体电子轰击下的消融率。因此,当聚变实验有中性粒子束注入加热时,需考虑高能离子轰击对靶丸消融的影响。这也为此情况下靶丸消融强化提供了一种解释。     

聚氰丙基甲基硅氧烷-聚脲嵌段共聚物的NMR表征及研究

用高分辨NMR对聚甲基硅氧烷-聚脲嵌段共聚物以及聚氰丙基甲基硅氧烷-聚脲嵌段共聚物结构进行表征,对NH形成的各种氢键进行详细的研究,同时观察了氢键在力学性能中的作用,结果发现氢键强烈地影响着力学性能。用固体¹H宽线研究这类材料的相分离状况,并总结影响相分离的因素。保持硬段含量不变,增加软段分子量使相分离程度增加;保持软段分子量不变,增加硬段含量使相分离程度降低。软、硬段之间的相互作用(如氢键)使相分离程度降低。     

H2-broadening coefficients in the ν3 band of CH3D at low temperatures

Using a diode-laser spectrometer, we have measured H₂-broadening coefficients of CH₃D at low temperatures (153.5, 183.5, and 223.5 K) for four lines in the ν₃ band. The collisional widths are obtained by fitting each absorption line with three lineshape models: the Voigt, Rautian, and Galatry profiles. The broadening coefficients are also calculated on the basis of a semiclassical model of interacting linear molecules by considering an atom-atom Lennard-Jones potential in addition to electrostatic contributions. By comparing the broadening coefficients at room and low temperatures the temperature dependence of these broadenings has been determined both experimentally and theoretically.     

Laser spectroscopic visualization of hydrogen bond motions in liquid water

Ultrafast pump-probe experiments are described permitting a visualization of molecular motions in diluted HDO/D₂O solutions. The experiments were realized in the mid-infrared spectral region with a time resolution of 150 fs. They were interpreted by a careful theoretical analysis, based on the correlation function approach of statistical mechanics. Combining experiment and theory, stretching motions of the OHO bonds as well as HDO rotations were ‘filmed’ in real time. It was found that molecular rotations are the principal agent of hydrogen bond breaking and making in water. Recent literatures covering the subject, including molecular dynamics simulations, are reviewed in detail.     

双卟啉金属铑配合物的合成

本文报道二种新的配体：双四苯基卟啉基对苯二甲亚胺（Ｉ），双［（５，１０，１５－三甲苯基）－２０－苯基）卟啉基］对苯二甲亚胺（Ⅱ），并合成了相应的单金属铑配合物Ⅲ．Ⅳ，进行了元素分析，电子光谱，红外光谱．质子核磁共振及光助还原水放氢实验．     

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。     

Diaquo(1,2-dimethoxyethane)lithium tetraphenylborate

The structure of diaquo(1,2-dimethoxyethane)lithium tetraphenylborate, [Li(CH₃OCH₂-CH₂OCH₃)(H₂O)₂][BPh₄], has been determined at 293 K. The compound crystallizes in the trigonal P3(1)21 space group (a = b = 9.9760(14), c = 23.662(5)). Both the lithium and the boron sit on a twofold rotation axis. The lithium is coordinated to two water oxygens and both ether oxygens of the 1,2-dimethoxyethane group. The coordination geometry is significantly distorted from a tetrahedron by the twisting of the plane containing the two water oxygens and the lithium relative to that containing the two 1,2-dimethoxyethane oxygens and the lithium. The five-membered chelate ring formed by chelation of the 1,2-dimethoxyethane to the lithium is a twist envelope consistent with the twofold rotation axis passing through the lithium and the center of the carbon–carbon bond of the 1,2-dimethoxyethane. Hydrogen bonding between each water hydrogen and a phenyl group of the tetraphenylborate is observed and results in a linear polymeric structure.     

Study on Pair Correlation Energies of Isoelectronic Systems F~-,HF and H_2F~+

IntroductionAsawell knownfact ,thecalculationofelectroncor relationenergyisabottleneckprobleminthecalculationsofmolecularpropertiesandchemicalreactionsinquantumchemistry .1Ithasattractedgreatattentionoftheoreticalchemists.NumerousdifferentmethodshavebeenusedtocalculatethecorrelationenergysinceL wdin2 givethedef initionofelectroncorrelationin 195 9.In 196 0s ,Sinanoˇglu3,4 definedtheexactelectronpaircorrelationen ergyanddevelopedmany electrontheoryofatomsandmoleculesinwhichthetotalcorrelation…