单电子卤键复合体系H_3C…Br—Y(Y=H,CN,NC,CCH,C_2H_3)的作用机制

对单电子溴键复合物H3C…Br—Y(Y=H,CCH,CN,NC,C2H3)的结构与性质进行了理论研究.在B3LYP/6-311++G**水平上计算了稳定构型并做了频率分析.BSSE矫正的相互作用能(EBSSE)和NBO及AIM分析输入的波函数在MP2/6-311++G**水平下完成.复合物H3C…Br—Y中,CH3(供电子体)自由基均提供一未成对电子与Br—Y中Br(受电子体)形成了单电子溴键,此单电子溴键也具有三电子键的特征.单电子溴键的形成导致甲基H的背向Y弯曲和Br—Y键的拉长及红移单电子溴键复合物的产生.考察了电子受体中不同取代基,C(spn)-Br杂化及溶剂的存在对复合物作用的影响,将单电子氢键,单电子卤键和单电子锂键的作用强度做了对比,进一步对Popelier提出的氢键体系中的前三个重要拓扑指标在单电子溴键体系中的重现性进行了探讨.     

空穴传输基团修饰的吡嗪铱配合物的合成及其发光性质

设计合成了空穴传输性咔唑基团修饰的吡嗪配体, 2,3-二(4-(9-咔唑基甲基)苯基)-5-甲基吡嗪(CzMPMP)及其铱配合物Ir(CzMPMP)2(acac)(acac: 乙酰丙酮). 用核磁共振(NMR)、质谱、元素分析等方法对其进行了表征, 并用紫外-可见吸收光谱、液相和固相光致发光光谱对其光学性质进行了研究. 通过与没有咔唑取代基的2,3-二苯基-5-甲基吡嗪铱配合物Ir(DPMP)2(acac)进行对照, 说明咔唑基团对配合物的光学性质有显著影响. 不含咔唑取代基的配合物Ir(DPMP)2(acac)的固态光致发光光谱中存在很强的激活双体(excimer)峰, 而Ir(CzMPMP)2(acac)的固态光致发光光谱中未发现有激活双体峰; 并且在溶液中, 含有咔唑取代基的配合物Ir(CzMPMP)2(acac)较Ir(DPMP)2(acac)的光致发光强度有显著提高. 这些结果说明咔唑基团的空间位阻可以有效阻止配合物成膜时产生激活双体, 从而消除发射峰红移现象并提高发光效率.     

Search for anomalous and exotic cosmic rays phenomena in the CMS experiment on the CASTOR calorimeter at the large hadron collider

The creation of the CASTOR forward calorimeter in the compact muon spectrometer (CMS) experiment at the Large Hadron Collider (LHC), CERN enabled us to perform experiments at energies corresponding to those of cosmic rays but at much greater intensities, the most important factor in studying rare and anomalous phenomena.     

Direct observation of current in type-I edge-localized-mode filaments on the ASDEX Upgrade tokamak

Magnetically confined plasmas in the high confinement regime are regularly subjected to relaxation oscillations, termed edge localized modes (ELMs), leading to large transport events. Present ELM theories rely on a combined effect of edge current and the edge pressure gradients which result in intermediate mode number (n?10-15) structures (filaments) localized in the perpendicular plane and extended along the field lines. By detailed localized measurements of the magnetic field perturbation associated to type-I ELM filaments, it is shown that these filaments carry a substantial current.     

高磁场大分离间隙的高温和低温超导磁体失超特性分析

本文使用失超分析软件Opera3D对低温和高温超导磁体进行失超分析.这个超导磁体具有两个相互垂直的室温孔,磁体的中心磁场为8～10T.为了合理保护超导磁体,通过变换加热器不同的加热功率密度和加热时间,改变保护电路参数等设置,分析各不同方案计算结果的区别,总结规律,为满足工程需求提出更优的失超保护方案.     

La0.67Ca0.33MnO3/NdGaO3(001)薄膜中外延应变诱导的各向异性磁阻效应

本文使用脉冲激光沉积方法在正交的NdGaO3(001)衬底上外延生长了La0.67Cao.33MnO3薄膜.退火后,由于外延应变引起薄膜正交畸变增强,薄膜在低于250K的整个温度区间都出现了铁磁金属态和反铁磁绝缘态的相分离和相竞争.这两相的竞争强烈依赖于磁场相对晶轴的方向,由此导致存在于很宽温度范围内的低场各向异性磁阻...     

W18Cr4V

The frictionand wear characteristics of the surfa ce compound layer of W18Cr4V steel by combined treatment of ion nitrocarburizing-ion sulphurizing were investigated. The friction coefficient of the compound l ayer against GCr15 steel was determined witha block-ring friction tester. The wear test was carried out with a reciprocating wear tester. The worn surface was analyzedby scanning electron microscopy(SEM). The experimental results reveale d that the friction coefficient was lower for treatedW18Cr4V steel against GCr1 5 steel. The wear resistance of the compound layer was higher because the nitroc arbonide andthe sulphide in the compound layer were capable of friction-reduct ion and adhesion-inhibition.     

Recent results on the spin structure of the nucleon

The process of polarised deep inelastic scattering and the information it has given on the spin structure of the nucleon are introduced. The experimental programmes in this field are described and the latest inclusive and semi-inclusive data and analyses are reviewed. Proposed future measurements are summarised.     

Two New Diterpene Alkaloids from the Roots of Spiraea japonica var. Acuta

Spiraea japonica L. (Rosaceae) is widely distributed in Yunnan Provence, P. R. China. Previous chemical investigations on S. japonica and its varieties have led to the report of 7 new atisane-type diterpenoids and 38 new diterpene alkaloids of atisine- and hetisine-type1-11. This paper describes the isolation and structure elucidation of two new diterpene alkaloids named spiratines A and B (1-2). Their structures were elucidated on the basis of 1D and 2D NMR experiments (HMQC, HMBC, 1…