8β-hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide分子的晶体结构

运用层析法、结晶法从狭苞橐吾全草中分离得到艾里莫芬烷型倍半萜8β-hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide化合物,并通过质谱、核磁共振氢谱和碳谱、氢核-氢核相关谱、异核多量子相干谱和异核多键相干谱进行结构鉴定．其单晶经X射线衍射测试表明,其晶体属正交晶系,空间群为P212121,晶胞参数为: a=6．8519(5),b=10．7191(8),c=18．5942(14)A,V=1365．67(18) A3,Z=4,Dc=1．354 mg／m3．F(000)=592,μ=0．101 mm-1     

Synthesis and characterisation of cadmium titanium oxide thin films by sol-gel technique

Crack free, dense and transparent CdTiO₃ thin films have been prepared by sol-gel technique using titanium butoxide and cadmium acetate. The formation of the CdTiO₃ phase started from 500°C annealing temperature onwards. The complete orthorhombic structure of CdTiO₃ was formed on Silicon (100) substrate at an annealing temperature of 600°C for 5 h. As the annealing temperature increased from 600 to 700°C, we have observed the cadmium silicate phase at the interface of Si and CdTiO₃ phase. Structural, morphological and elemental evolution of these CdTiO₃ thin films produced by sol-gel synthesis were characterised by grazing incidence X-ray diffraction (GIXRD), tapping mode atomic force microscopy (TMAFM), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) respectively.     

Algebraic methods in quantum mechanics: from molecules to polymers

We present a brief review of algebraic techniques developed and applied in molecular spectroscopy in the last five years. We also outline perspectives for new applications of the Lie algebraic method in the first decade of the new century. Received 21 November 2001     

激光产生的铝、硅、氧、铜、硒等离子体X光谱

利用长晶格的OHM晶体谱仪,从激光等离子体中获得丰富的铜、硒类氖、类氟、类钠离子的二、三、四级软X射线衍射光谱和铝、氧、硅的类氢、类氦、类锂离子一到四级谱,波长在14～40(?)之间,在此基础上,本文较为细仔地分析了各光谱结构.     

硬X射线磁圆二色实验方法的建立

在北京同步辐射装置(BSRF)1W1B光束线和XAFS实验站上国内首次建立了硬X射线波段的磁圆二色实验(XMCD)方法. 以单晶金刚石作为相位延迟片, 在透射劳埃(Laue)模式下, 利用衍射双折射效应, 将入射的单色线偏振光转变为相应的左旋和右旋圆偏振光, 测量磁化样品对左旋和右旋圆偏振光吸收的差异, 获得了XMCD信号. 本实验使用透射方法测量了Pt-Fe合金Pt L_2,3边的XMCD, 获得了XMCD信号. XMCD实验方法的建立, 为研究磁性材料尤其是磁性薄膜材料的电子结构和磁结构提供了实验基础.     

Global fit analysis including the ν9 + ν4 − ν4 hot band of ethane: Evidence of an interaction with the ν12 fundamental

The ν₉ fundamental band of ethane occurs in the 12 μm region. It is the strongest band of ethane in a terrestrial window and is commonly used for the identification of ethane in the Jovian planets. The ν₉ + ν₄ − ν₄ band occurs in the same region; neither can be analysed as an isolated band, since both are embedded in the torsional bath of the ground vibrational state. We report here two global fit models including data from both of these bands as well as the ν₃ fundamental and the ν₄, 2ν₄ − ν₄, and 3ν₄ torsional transitions. The first is restricted to −5 ? KΔK ? 15 in the hot band and gives an excellent fit to the included data. Three resonant interactions are identified in this fit—a Coriolis interaction with two resonant cases between the ν₉ torsional stack and that of the ground vibrational state (gs) and a resonant Fermi interaction between the ν₃ fundamental and the gs. Hot band lines with KΔK < −5 are influenced by a fourth perturbation, with a crossing at −11 < KΔK < −10, which has been attributed to an interaction with the ν₁₂ fundamental. A second fit, demonstrating a promising treatment of this interaction, is also presented.     

BaWO_4晶体的拉曼光谱分析

BaWO4晶体是一种很有应用前景的喇曼激光晶体。本文根据对称性分类,用商群理论分析了Ba-WO4晶体的喇曼光谱。一个原胞中含有两个BaWO4分子,理论上有36个振动膜,和我们用群论计算得数目一致。其中有18支拉曼活性光学膜。我们测得了10支拉曼峰,并对测得的各个配置的拉曼峰进行了指认,其中X(ZZ)X配置921cm-1处的喇曼峰强度最强,线宽较窄,对于作为喇曼激光晶体来讲是很有益的。     

Preparation, structure and properties of novel 1,3-dithiol-2-ylidene derivatives containing bis(ethynylpyridine) units

1,3-Dithiol-2-ylidene derivatives containing bis(ethynylpyridine) units were synthesized using a Pd-catalyzed reaction of the corresponding dibromide. X-Ray crystal analysis revealed unique crystal structures depending on the aromatic groups. The absorption spectra and redox properties indicated intramolecular charge-transfer interactions between the 1,3-dithiole unit and the pyridyl parts.     

X-Ray Mapping and Interpretation of Scatter Diagrams

Electron beam induced quantitative X-ray mapping has become a very useful characterisation tool for determining the elemental distribution in materials, whether using energy dispersive spectroscopy or wavelength dispersive spectroscopy. The X-ray intensity distributions of the elements from an X-ray map allow us to generate two dimensional and ternary scatter diagrams thus converting spatial information into concentration dimensions, which is an important tool for displaying the spatial relationships of elements or correlated elements (phases) in materials. To best understand how to use this tool, we need to understand the production and features of the scatter diagram. The type of clustering observed in the scatter diagram, whether oval, linear or spherical, can give the major and trace element distributions within phases as well as qualitative and quantitative phase information. This paper demonstrates the generation of scatter diagrams, properties of scatter diagrams, interpretation of scatter diagrams and the advantages of scatter diagrams through the use of examples.     

An AFM, XPS and electrochemical study of molecular electroactive monolayers formed by wet chemistry functionalization of H-terminated Si(1 0 0) with vinylferrocene

Molecular electroactive monolayers have been produced from vinylferrocene (VFC) via light-assisted surface anchoring to H-terminated n- and p-Si(1 0 0) wafers prepared via wet chemistry, in a controlled atmosphere. The resulting Si-C bound hybrids have been characterized by means of XPS and AFM. Their performance as semiconductor functionalized electrodes and their surface composition have been followed by combining electrochemical and XPS measurements on the same samples, before and after use in an electrochemical cell. White-light photoactivated anchoring at short (1 h) exposure times has resulted in a mild route, with a very limited impact on the initial quality of the silicon substrate. In fact, the functionalized Si surface results negligibly oxidized, and the C/Fe atomic ratio is close to the value expected for the pure molecular species. The VFC/Si hybrids can be described as (η⁵-C₅H₅)Fe²⁺(η⁵-C₅H₄)-CH₂-CH₂-Si species, on the basis of XPS results. Electrochemical methods have been applied in order to investigate the role played by a robust, covalent Si-C anchoring mode towards substrate-molecule electronic communication, a crucial issue for a perspective development of molecular electronics devices. The response found from cyclic voltammograms for p-Si(1 0 0) functionalized electrodes, run in the dark and under illumination, has shown that the electron transfer is not limited by the number of charge carriers, confirming the occurrence of electron transfer via the Si valence band. The hybrids have shown a noticeable electrochemical stability and reversibility under cyclic voltammetry (cv), and the trend in peak current intensity vs. the scan rate was linear. The molecule-Si bond is preserved even after thousands of voltammetric cycles, although the surface coverage, evaluated from cv and XPS, decreases in the same sequence. An increasingly larger surface concentration of Fe³⁺ at the expenses of Fe²⁺ redox centers has been found at increasing number of cv’s, experimentally associated with the growth of silicon oxide. Surface SiO⁻ groups from deprotonated silanol termination, induced by the electrochemical treatments, are proposed as the associated counterions for the Fe³⁺ species. They could be responsible for the observed decrease in the electron transfer rate constant with electrode ageing.