室温下压致铁钴镍合金的bcc→hcp相变

 本文采用高压X光衍射方法在金刚石对顶压砧中在位地（in situ）研究了Fe₆₈Co₂₄Ni₈（wt%）合金在室温下的压致bcc→hcp结构相变和直到40.5 GPa的等温压缩行为。实验结果表明该合金在常压下为bcc结构，晶格常数a₀=(0.287 0±0.000 1) nm，体积V₀=(7.119±0.007) cm³/mol，密度ρ₀=(7.981±0.008) g/cm³；在20.9 GPa附近出现bcc→hcp结构相变，两相共存压力区约10 GPa，在此区域内有晶面间距d(002)_hcp=d(110)_bcc，且原子平面(002)_hcp//(110)_bcc，hcp相比bcc相体积减小(0.33±0.02) cm³/mol；高压相hcp结构的晶格参数比值c/a=1.608±0.004；相变后原子配位数的增加使得hcp相(002)平面内及(002)平面间的最近邻原子间距比bcc相最近邻原子间距分别增大约1.6%和0.5%；用Murnaghan状态方程对实验数据进行最小二乘法拟合，得到bcc相B₀=(130±13) GPa，B₀'=12.6±0.5；hcp相V₀=(6.62±0.04) cm³/mol，B₀=(243±21) GPa，B₀'=6.8±0.3；对于该合金的bcc→fcp相变时的结构转变机制做了详细的讨论。     

Structural phase transition in substituted La2CuO4 and Pr2CuO4−y

The structural phase transition from orthorhombic (T) phase to tetragonal (T′) phase in substituted La_2−x R _x CuO₄ (R = Pr, Nd, Sm, Eu and Gd) and T′ to T-phase in Pr_2−x M _x CuO_4−y (M = Sr, Ca) has been studied by X-ray diffraction technique. The T-phase of La₂CuO₄ is transferred to T′ phase abruptly atx=0.8, 0.4, 0.4, 0.3 and 0.4 respectively for substitution of Pr, Nd, Sm, Eu and Gd for La in La₂CuO₄ without evidence of the T* phase. The T′ structure of Pr₂CuO₄ (x = 0.0) gets transformed to the T* structure at 30% Ca doping (x=0.6) and then to the T structure at 50% Ca doping (x=1.0), while for Sr-contentx=0.0, 0.4 and 1.0 it shows T′, T* and T structure respectively.     

Strong,large distance impurity dipole interaction in KNbO3 single crystals

It is found that the unrelaxed impurity dipoles can arrange themselves linearly in the structure joining each other end-to-end in pseudocubic [110] direction at the tetragonal to the orthorhombic phase transition. It is shown that this alignment precedes the domain formation at the phase transition, which implies quick movements of the dipoles in the structure, and a strong dipolar interaction. The experiments with the application of dc fields to the crystals showed that the dipolar interaction becomes stronger with the field. The dipoles can see each other across the existing domain walls implying the large distance nature of the interaction. The observation of impurity clusters arranged in pseudocubic [110] direction confirmed the large distance nature of the interaction. It is concluded that this strong, large distance interaction is very interesting in as much as such an interaction of dipoles forms the basis of ferroelectricity.     

转动喇曼散射截面的群论计算

本文利用群链U(4)U(3)O(3)描述双原子分子N_2和O_2振转谱的对称性质,并利用群论方法计算了N_2和O_2分子转动喇曼散射的跃迁矩阵元,给出了它们的转动喇曼散射的截面。结果与实验较好地符合。     

Charge order and spin order in Nd_(0.5)Sr_(0.5)Mn_(1-x)(Ga_x, Ti_x)O_3 system

Magnetic properties of Nd_(0.5)Sr_(0.5)Mn_(1-x)(Ga_x, Ti_x)O_3 system (0.04≤x≤0.4) were inves- tigated through magnetization and electron spin resonance (ESR) measurements. It was observed that a small amount of Ti substitution for Mn will destroy the charge-ordering (CO) phase completely and induce the cluster-spin-glass phase in the system, which displays a procedure of collapse of CO and of an enhancement of spin ordering (SO) phase. In contrast, the Ga substitution for Mn induces a melt- ing of CO phase in the system. It was observed that with substitution the CO phase is suppressed gradually and the remanent CO phase is retained all the while, and withal, there is a co-existence of AFM CO phase and FM SO at low temperature. In addition, an abrupt rise of magnetization was observed in M-T curves. We attributed this abnormal phenomenon to a transition from canted AFM SO to FM SO in CO region.     

Explicit Confinement Effect on the Helicity Amplitudes of the Low-Lying Nucleon Resonances

Calculations of helicity amplitudes for the low-lying nucleon resonances are displayed based on a non-relativistic constituent quark model with a harmonic oscillator confinement. The explicit effect of quark confinement isshown. Our results show that the effect plays sizable role on some transition amplitudes of S11(1535) and D13(1520)resonances. The effect on the △(1232) transition amplitudes islessthan 10%. However, the effect on the Roper resonanceis remarkable but is inconclusive.     

Mechanism of the reaction of neutral and anionic N-nucleophiles with α-halocarbonyl compounds

N-Acylalkylation of neutral and anionic N-nucleophiles with α-halocarbonyl compounds was investigated by quantum chemical methods in terms of the density functional theory and by experimental methods for 2,3-dihydroimidazo[2,1-b]quinazolin-1(10)H-5-one, its N-anion, and simpler model structures. High reactivity of these reagents is determined primarily by stabilization of transition states (TS) by bridge bonds involving halogen or nitrogen atoms rather than by conjugation, as has been commonly accepted. Bridged TS are formed by both the substitution mechanism S _N 2 and the addition-elimination mechanism. α-Haloalkyl-substituted zwitterions, which are potential intermediates of stepwise N-acylalkylation of neutral N-nucleophiles, do not exist in the isolated state, but they are rather efficiently stabilized upon solvation. These zwitterions, as well as analogous O-anions generated from anionic N-nucleophiles, can serve as intermediates of N-acylalkylation, as was demonstrated by localization of the corresponding TS. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1150–1164, June, 2007.     

衍射辐射及其在电子束诊断中的应用

衍射辐射是由于运动的带电粒子遇到随空间变化的电介质而由感应电流产生的一种辐射. 衍射辐射由于其非阻拦性, 多参数性, 可在线性, 非常适合下一代对撞机和第四代光源的电子束诊断. 简要介绍了其物理机制, 系统的讨论了其在电子束诊断中的应用.     

The coexistence of γ(γ′) and θ alumina observed by STM and LEED on top of oxide layer grown on CoAl(1 0 0)

We report the coexistence of γ(γ′) and θ alumina grown on the CoAl(1 0 0) surface. Both phases were observed after annealing of alumina at 1150 K by means of scanning tunnelling microscopy (STM). The crystal structures of γ(γ′) and θ alumina were indexed based on low energy electron diffraction (LEED) and STM experimental data.     

Catalysis by Ir(III), Rh(III) and Pd(II) metal ions in the oxidation of organic compounds with H2O2

Catalytic activities of three transition metals, as iridium (III) chloride, rhodium (III) chloride and palladium (II) chloride, were compared in the oxidation of six aromatic aldehydes (benzaldehyde, p‐chloro benzaldehyde, p‐nitro benzaldehyde, m‐nitro benzaldehyde, p‐methoxy benzaldehyde and cinnamaldehyde), two hydrocarbons (viz. (anthracene and phenanthrene)) and one aromatic and one cyclic alcohol (cyclohexanol and benzyl alcohol) by 50% H₂O₂. The presence of traces (substrate: catalyst ratio equal to 1:62500 to 1:1961) of the chlorides of iridium(III), rhodium(III) and palladium(II) catalyze these oxidations, resulting in good to excellent yields. It was observed that in most of the cases palladium(II) chloride is the most efficient catalyst. Conditions for the highest and most economical yields were obtained. Deviation from the optimum conditions decreases the yields. Oxidation in aromatic aldehydes is selective at the aldehydeic group only and other groups remain unaffected. This new, simple and economical method, which is environmentally safe, also requires less time. Reactive species of catalysts, existing in the reaction mixture are also discussed. Copyright © 2007 John Wiley & Sons, Ltd.