丁酮分子内价轨道1a″的电子动量谱学研究

用高分辨率电子动量谱仪进行丁酮分子的结合能谱和内价轨道1a″电子动量谱的实验工作，以及用Hartree-Fock和密度泛函理论方法对1a″轨道电子动量谱的理论研究. 得到了各价轨道的电离能值以及理论计算的总能、偶极矩和1a″轨道的二维密度图. 并比较了内价轨道1a″的电子动量谱的实验和理论计算结果，实验结果与理论计算符合较好.     

Diels–Alder dimerization of Morita–Baylis–Hillman acetates catalyzed by organocatalysts

DABCO-catalyzed dimerization of Morita–Baylis–Hillman acetates to synthesize a series of 3-alkyl-4-(E)-alkenyl-cyclohex-1-ene-1,4-dicarbonyl compounds in excellent yields with modest to excellent diastereoselectivity is reported. A plausible reaction mechanism is also proposed on the basis of previous literature and preliminary investigation the asymmetric version of the reaction.     

The effective ionization coefficients and electron drift velocities in gas mixtures of CF3I with N2 and CO2 obtained from Boltzmann equation analysis

The electron swarm parameters including the density-normalized effective ionization coefficients(α-η)/N and the electron drift velocities V e are calculated for a gas mixture of CF3I with N2 and CO2 by solving the Boltzmann equation in the condition of a steady-state Townsend(SST) experiment.The overall density-reduced electric field strength is from 100 Td to 1000 Td(1 Td = 10-17V·cm2),while the CF3I content k in the gas mixture can be varied over the range from 0% to 100%.From the variation of(αη)/N with the CF3I mixture ratio k,the limiting field strength(E/N) lim for each CF3I concentration is derived.It is found that for the mixtures with 70% CF3I,the values of(E/N) lim are essentially the same as that for pure SF 6.Additionally,the global warming potential(GWP) and the liquefaction temperature of the gas mixtures are also taken into account to evaluate the possibility of application in the gas insulation of power equipment.     

The twoscale asymptotic error analysis for piezoelectric problems in the quasi-periodic structure

Applications for piezoelectric efect have grown rapidly,and piezoelectric materials play important roles in countless areas of modern life.By means of twoscale method and coupled boundary layer,some new kinds of twoscale asymptotic expansions for solutions to the electrical potential and the displacement in quasi-periodic structure under coupled piezoelectric efect are derived,and the homogenization constants of piezoelectric materials are presented.The coupled twoscale relation between the electrical potential and the displacement is set up,and some improved asymptotic error estimates are analyzed.     

宽频带光束非线性热像效应的实验研究

实验研究宽频带脉冲光束通过非线性介质时的非线性热像的形成过程,揭示了光束入射功率和脉冲宽度、介质厚度等因素对热像光强和位置的影响. 结果表明,与单纵模激光束一样,在宽频带脉冲光束情形下,非线性介质上游元件的模糊斑调制也可导致在下游共轭位置形成热像. 热像光强随入射光束功率的增加而增加;若脉冲能量一定,则热像光强随脉冲宽度的增加而减弱;若脉冲峰值功率一定,则热像光强随脉冲宽度的增加而增强. 关键词： 高功率激光 热像 宽带光束 小尺度自聚焦     

Cr4+掺杂Li1.14Zn1.43SiO4透明微晶玻璃近红外宽带光谱特性

采用高温熔融法和热处理制备了Cr⁴⁺掺杂Li_1.14Zn_1.43SiO₄微晶玻璃, 探讨了不同热处理温度下样品的物相、微观形貌及发光性能. 结果表明: 580℃热处理2h得到的微晶玻璃, Li_1.14Zn_1.43SiO₄微晶的粒径约为5nm, 在808nm的二极管激发下, 可观察到中心波长位于1226nm, 半高宽为230nm的近红外宽带发射峰, 荧光寿命约为200.73±1.71μs. 随着热处理温度的升高, Cr⁴⁺离子所处的晶体场环境发生了变化, 且可以观察到样品吸收光谱发生微弱的蓝移, 而荧光光谱发生少量的红移, 分析了晶体场环境变化对样品发光性能的影响. 关键词： 铬离子 微晶玻璃 超宽带发光 晶体场     

Substrate-controlled and highly stereoselective synthesis of 2-aminobut-2-ene-1, 4-diones

2-Methylthio-substituted 1,4-enediones, obtained from readily available aryl methyl ketones, were reacted with primary or secondary amines to afford the desired 1,4-diaryl-2-aminobut-2-ene-1,4-diones in excellent yields with high Z/E-stereoselectivity.     

Scope and regioselectivity of the 1,3-dipolar cycloaddition of azides with methyl 2-perfluoroalkynoates for an easy,metal-free route to perfluoroalkylated 1,2,3-triazoles

1,3-Dipolar cycloadditions of methyl 2-perfluoroalkynoates with various azides have been examined, leading to a simple metal-free synthetic protocol for the synthesis of perfluoroalkylated 1,2,3-triazoles. The regiochemical results demonstrated that the cycloaddition was controlled by FMO (the frontier molecular obitals) interaction and steric hindrance in transition states.     

Copper‐catalyzed Clauson–Kass pyrroles synthesis in aqueous media

An efficient and convenient copper‐catalyzed Clauson–Kass reaction of 2,5‐dimethoxytetrahydrofuran with amines in aqueous media has been developed, providing a wide range of N‐substituted pyrroles in good yields. It is noteworthy that the Clauson–Kass reaction of 2,5‐dimethoxytetrahydrofuran with p‐phenylenediamine or m‐phenylenediamine proceeds smoothly to afford the corresponding monopyrroles and bispyrroles with high selectivity in impressive yields. A plausible mechanism for the formation of N‐substituted pyrroles has been proposed. Copyright © 2012 John Wiley & Sons, Ltd.