将SVRT模型应用到单原子多原子反应F+CH2D2→CH2D/CHD2+DF/HF中

由于含时波包方法具有经典的直观又不乏量子力学的准确 ,选择含时波包方法来处理F +CH2 D2 →CH2 D/CHD2 +DF/HF反应 .把半刚性振转子 (SVRT)模型应用到该反应体系中 ,研究了两个通道中该反应从基态反应物开始在修正过的J1(MJ1)势能面上计算出来了反应几率、积分截面、速率常数 .反应几率随能量变化的图的数值结果给出了振荡结构 ,这些振荡结构是可以和动力学振荡联系起来的 .而这些振荡结构在积分截面随着能量变化的图中就被反应几率求和后的平均结果所掩盖了 .速率常数和实验结果的比较也得到了较好的结果 .     

五种氨基酸钆络合物的ESR波谱

迄今未见任何稀土氨基酸络合物的ESR波谱报道,本文在合成Gd³⁺分别与甘氨酸、β-丙氨酸、谷氨酸、天冬氨酸和天冬酰胺五种氨基酸络合物的基础上,测定了不同温度下,水溶液、粉末及分子筛吸附样品的ESR谱,讨论了络合物中晶体场强,对称性及成键特性。     

镁离子内扩散铌酸锂研究(Ⅱ)—— X射线衍射和扫描电子显微镜表征

对不同扩散条件的铌酸锂单晶基片进行了X射线衍射分析(XRD)和扫描电子显微镜观察(SEM)。结果表明,在扩散表面富镁层出现一新相结构,可能是由Li-Mg-Nb-O组成的三元系相结构,这一新相被认为是镁离子内扩散的真正扩散源。并对晶格发生畸变、镁离子内扩散机理以及镁的扩散层折射率变化机理进行了分析和讨论。 关键词：     

Spectroscopic Studies of 1-Aryl-2,2-Dichlorocyclopropanes

Seventeen 1-aryl-2,2-dichlorocyclopropanes were examined by using IR, ¹³C NMR, and mass spectrometry. The data obtained from IR and ¹³C NMR spectra indicate that the bond strength of carbon-chlorine on the cyclopropane ring and the electron density of that carbon depend on the substituent. The mass fragmentation patterns of compounds in this series resemble those of the dibromo analogues. The fragmentation mechanism is proposed to involve the formation of indenium ion through an electrocyclization.     

Preparation of new mixed ligand complexes of lanthanide acetylacetonate with dibenzo-18-crown-6 and their IR spectra

Fourteen new mixed ligand complexes of lanthanide acetylacetonate and dibenzo-18- crown-6 (DB18C6) were prepared by three different methods. The composition of the complexes was shown to be Ln(acac)· DB18C6 by elemental analysis and X-ray powder diffraction. Infrared spectra of the complexes were investigated, and the results indicate that their absorption bands in the region of 400—4000 cm^?1 are complicated and without much difference from each other, but in the far infrared region various absorption bands of Ln—O can be observed and they changes regularly with the atomic number of lanthanides.     

抗坏血酸同顺磁离子Mn~(2+)、Gd~(3+)络会的~(13)C NMR研究

该文用顺磁离子对其近邻~(13)C核的NMR吸收增宽效应,系统地研究了抗坏血酸在不同溶剂中对金属离子Mn~(2+)、Gd~(3+)的配合行为.在水溶液中,抗坏血酸可通过两种配合方式与Mn~(2+)作用,但与Gd~(3+)的作用只有一种稳定的结构.在水中抗坏血酸对金属的配位活性部位分别是1位羟基氧,3位离解的羟基氧和6位羟基氧.在DMSO中,3位羟基由于H~+对该基团的静电遮蔽而变得对金属离子Mn~(2+)表现为配位惰性,同时6位羟基配位活性较大增强.对Gd~(3+)来说,此时没有优势配位活性部位存在.文章还讨论了抗坏血酸在H_2O-DMSO混合溶剂中的~(13)C NMR谱及在DMSO中NaOH对其~(13)C NMR谱及其与金属络合结构的影响.     

A flow tube study of methyl iodine uptake on soot surface

The black carbon aerosols are now recognized for their potential impact on climate and the halogenated compounds are thought to be very important in atmospheric chemistry. However, there are very few studies on the interactions between soot aerosols and halogenated compounds. We report the measurement of the uptake of CH₃I on soot. The measured uptake coefficient is 0.0103 ± 0.0015 at a total pressure of 2–4 Torr and 298 K. The results suggest that the uptake of CH₃I occurs efficiently on soot particles. The present work suggests that heterogeneous loss of CH₃I on soot may influence the concentration of CH₃I throughout the atmosphere.     

具有一对零态射的Morita Context环(II)

设$(A,B,V,W,\psi,\phi)$是一个Morita Context,具有一对零态射$\psi=0$, $\phi=0$, $C =\left ( \begin{array} {cc}A & V \\W & B \end{array}\right)$是对应的Morita Context环.本文给出了$C$与$A,B,V,W$之间关于环的$\pi$-正则性、semiclean性、Mophic性和环的Exchgange性、Potent性、GM性的关系.     

电热蒸发进样微波等离子体炬原子发射光谱法中共存元素的影响

本文考察了以微波等离子体炬（MPT）为光源，电热钽丝环进样时，溶液中共存元素对发射信号的影响。