原位漫反射红外光谱研究氮氧化物在Ag-ZSM-5催化剂上的吸附态及选择性催化还原反应机理

利用原位分析方法对催化剂表面吸附态进行动态表征，对了解催化反应机理具有重要的意义。漫反射红外光谱是一种理想的原位方法，应用该方法在298－773K范围原位考察了以丙烯为还原剂，NO在Ag-ZSM-5催化剂上的吸附态及选择性催化还原过程。认为NO的选择性催化还原符合直接作用机理，还原的关键是形成有机－氮氧化物（R－NO2或R－ONO）中间体。O2的作用是使C3H6充分活化，并是有效产生有机－氮氧化物不可缺少的条件。     

The effect of covalent surface immobilization on the bactericidal efficacy of a quaternary ammonium compound

This study investigates the effect of surface immobilization on the bactericidal function of a quaternary ammonium compound. Quaternary ammonium silane (QAS) coated planar surfaces did not produce any measurable mortality of Staphylococcus aureus, while 1 µm QAS‐coated microparticles did produce S. aureus mortality. The experiments using QAS‐coated microparticles indicate that the ability of QAS molecules to disrupt the cell wall is not hindered by covalent immobilization of QAS to a surface. These results provide evidence that S. aureus cells on a QAS‐coated planar surface are not exposed to a sufficient number of QAS molecules to produce significant mortality. This result has important implications for the development of self‐decontaminating coatings. Covalent immobilization is used to prevent leaching of the bactericidal compound. However, covalent immobilization may result in a significant tradeoff in bactericidal performance. Published in 2007 by John Wiley & Sons, Ltd.     

Triorganotin 4-isopropylbenzoates as model transesterification catalysts for triorganotin carboxylates grafted to cross-linked polystyrene

Starting from 4-isopropylbenzoic acid, three new triorganotin carboxylates bearing methyl, butyl and phenyl substituents at tin, respectively, were prepared and fully characterized by spectroscopic and thermal techniques, with particular regard to the coordination number of tin atom, in solution as well as in the solid state. The triorganotin compounds, tested as transesterification catalysts in the reaction between ethyl acetate and primary, secondary or tertiary alcohol, respectively, displayed, as expected, a strong decrease of activity on passing from the primary to the tertiary alcohol reactant. Different activities by the tin carboxylates were also observed in the reaction between primary alcohol and ethyl acetate. The reaction mechanism, as elucidated by Sn NMR, involves coordination of both ester substrate and alcohol reactant to the triorganotin compound, the reaction conversion appearing related not only to the Lewis acidity of the tin atom, but also to the nature of the reactants. Preliminary catalytic tests were also carried out in the reaction between glyceryl tridodecanoate (as a model of natural triglyceride) and ethanol, mimicking the preparation of biodiesel fuel. Although in this case lower conversions were obtained with respect to the reactions on ethyl acetate, the catalytic activity of organotin derivatives appears considerable.     

Search for Resolution of Chiral Fluorohalogenomethanes and Parity‐Violation Effects at the Molecular Level

The first observation of a parity‐violation effect in molecules induced by weak interactions is still a dream that requires the synthesis and, eventually, the resolution of the enantiomers of well‐chosen simple chiral molecules together with an appropriate experimental set‐up for high‐resolution spectroscopy. Performing IR spectroscopy on highly enantiomerically enriched samples of bromochlorofluoromethane succeeded in giving an upper limit of 10^?13 for the relative vibrational energy difference between the two enantiomers. These results led us to conceive a new experimental set‐up based on a supersonic molecular beam and to work on other chiral molecules, such as chlorofluoroiodomethane. A synthesis of (±)‐CHClFI from racemic chlorofluoroiodoacetic acid should, in the near future permit the preparation of optically active samples of this haloform. The development of molecular beam spectroscopy using a two‐photon Ramsey‐fringes experiment should allow us to reach the precision needed to observe parity violation. These experimental challenges, which stimulate a close collaboration between chemists and physicists, are presented. The success of these projects would open the route to new information on the molecular Hamiltonian, a better knowledge of the electroweak interaction, and a better control of the various chirality‐related properties of simple molecules.     

尖晶石锂锰氧化物锂离子嵌脱过程的交流阻抗谱研究

用粉末微电极研究了尖晶石锂锰氧化物在不同嵌锂状态下嵌脱锂过程的交流阻 抗图谱，提出了新的等效电路模型。描述锂离子在固体中扩散的Warburg阻抗与累 积或消耗的嵌入电容在Lix MnO4中的x≤0．5时串联，0．5＜x≤1时并联。用提出 的等效电路模型分阶段拟合了实验所得的交流阻抗谱，拟合值与实验值相当吻合， 由拟合结果得到不同电位下锂离子在表面膜中的迁移电阻和电容，界面电荷传递电 阻，双层电容，锂离子在固体中扩散系数和累积或消耗的嵌入电容。     

XPS,AFM, ATR and TPD evidence for terraced,dihydrogen terminated, 1×1 (100) silicon

Heating (100) silicon at high temperature (say, higher than 850 °C) in H₂, cooling to 670–700 °C in the same ambient, and quenching to room temperature in N₂ results in environmentally robust, terraced 1 × 1 (100) SiH₂. Evidence for this conclusion is based on angle‐resolved x‐ray photoelectron spectroscopy, atomic force microscopy, infrared absorption spectroscopy in the attenuated total reflection mode, thermal programmed desorption, and reflection high‐energy electron diffraction. Copyright © 2005 John Wiley & Sons, Ltd.     

脱蜡剂DF-1的气相色谱-傅里叶变换红外光谱联用分析

脱蜡剂ＤＦ－１是一种含多种有机成分的碳氢化合物，经气相色谱－红外光谱联用分析后，确定了这些组分的组成与含量。     

Thermal decomposition and indirect structural determination of rare earth element picrates with the dtso ligand

The complexes [Ln(pic)₃(DTSO)₃] (Ln=La, Lu and Y; pic=picrate; DTSO=1,3-dithiane-1-oxide) were synthesized and characterized. Indirect structural determination by far infrared spectroscopy is presented. Results from thermal decomposition of these complexes by TG/DTG and DSC techniques are reported. This revised version was published online in August 2006 with corrections to the Cover Date.     

Thermal decomposition of struvite

Struvite (NH₄MgPO₄·6H₂O) is a mineral often found in urinary tracts and kidneys. Thermal decomposition using slow low heating shows that the 'kidney' stone can be decomposed at temperatures below 40°C. At this temperature both ammonia and water are evolved. If more rapid heating is employed the decomposition occurs at around 80°C. The implication of this work rests with the use of low slow heat for the decomposition of the kidney stones. This revised version was published online in July 2006 with corrections to the Cover Date.