Unsymmetrically substituted ethane as a new and efficient initiator for the polymerization of methyl methacrylate and styrene

In this paper, we present a compound, 2,3-diphenyl butyronitrile (DPBN), which can be used as a new and efficient radical initiator for the polymerization of methyl methacrylate (MMA) and styrene (St). Very different from other compounds as a carbon-carbon initiator, DPBN is an unsymmetrically substituted ethane and works with high initiation reactivity at lower temperatures. This new compound as an initiator exhibits various advantages, such as easy preparation, high initiation reactivity, safe use and storage, and convenient handling.     

Dielectric and elastic properties of fluorine-containing tricyclic isothiocyanate liquid crystal

The dielectric and elastic properties of liquid crystals (LCs) generally depend on the molecule structure, such as polar group and carbon chain length. For further investigation of the influence of molecular structure on the dielectric and elastic properties of fluorine-containing tricyclic isothiocyanate LC, the experimental temperature was controlled at 25°C by precision hot stage, and a precision LCR meter was used to measure the capacitance of six LC cells under the voltage from 0.1 to 20 V at 1 kHz. An LC cell capacitance model and a dual-cell model were adopted to obtain the dielectric anisotropy, and the capacitance–voltage curves of six LC materials were plotted. The threshold voltage of Fréedericksz transition was analysed, and a finite difference iterative method was used to attain specific values of three elastic constants. The influence of molecular structure on the dielectric and elastic constants was finally analysed. Experimental results showed that the introduction of meta-difluoro group would increase the dielectric anisotropy and reduce the threshold voltage of LC. As the length of the alkyl carbon chain increased, the dielectric anisotropy would have an odd–even alternation effect, which would lead to changes in the elastic constants of LC.     

Study on divertor plasma behavior through sweeping strike point in new lower divertor on EAST

A series of L-mode discharges have been conducted in the new ‘corner slot’ divertor on the Experimental Advanced Superconducting Tokamak (EAST) to study the divertor plasma behavior through sweeping strike point. The plasma control system controls the strike point sweeping from the horizontal target to the vertical target through poloidal field coils, with keeping the main plasma stability. The surface temperature of the divertor target cools down as the strike point moves away, indicating that sweeping strike point mitigates the heat load. To avoid the negative effect of probe tip damage, a method based on sweeping strike point is used to get the normalized profile and study the decay length of particle and heat flux on the divertor target λ_js, λ_q. In the discharges with high radio-frequency (RF) heating power, electron temperature T_e is lower and λ_js is larger when the strike point locates on the horizontal target compared to the vertical target, probably due to the corner effect. In the Ohmic discharges, λ_js, λ_q are much larger compared to the discharges with high RF heating power, which may be attributed to lower edge T_e.     

A−H…σ Hydrogen Bonds: Dihydrogen and Cycloalkanes as Proton Acceptors

ωB97XD/aug-cc-pVTZ calculations were performed for complexes of dihydrogen, cyclopropane, cyclobutane and cyclopentane, with simple proton donating species such as hydrogen fluoride, hydrogen chloride, water, hydrogen cyanide and acetylene. Numerous dependencies between geometrical, energetic and topological parameters of complexes considered were found, since various theoretical approaches were applied: Quantum Theory of ‘Atoms in Molecules’ (QTAIM), Natural Bond Orbital (NBO) method and energy decomposition analysis (EDA). It was confirmed that complexes of dihydrogen and cyclopropane are linked through the A−H…σ interactions that may be classified as hydrogen bonds. In the case of complexes of cyclobutane such hydrogen bonds are rather weak. Other type and also weak A−H…C hydrogen bonds are formed for complexes with cyclopentane.     

基于精化锯齿理论的功能梯度夹心微板静弯曲模型

基于精化锯齿理论和新修正偶应力理论,建立了能够准确预测功能梯度夹心微板挠度、位移和应力的静弯曲模型。为了描述微板不同方向上的尺度效应,将两个正交材料尺度参数引入本文模型。以受双向正弦载荷作用的简支板为例,探究了夹心微板弯曲行为中尺度效应对结构刚度的影响。算例结果表明,当微板几何参数与材料尺度参数接近时,基于本文模型所测微板的最大弯曲挠度、局部位移和应力均小于传统精化锯齿理论给出的结果,捕捉到了尺度效应;尺度效应随着微板几何尺寸的增大而逐渐减弱,当微板几何尺寸远大于材料尺度参数时,尺度效应消失。此外,板的跨厚比和功能梯度变化指数也会对尺度效应产生一定影响。     

AlGaN/GaN高电子迁移率器件外部边缘电容的物理模型

AlGaN/GaN HEMT外部边缘电容Cofd是由栅极垂直侧壁与二维电子气水平壁之间的电场构成的等效电容.本文基于保角映射法对Cofd进行物理建模,考虑沟道长度调制效应,研究外部偏置、阈值电压漂移和温度变化对Cofd的影响:随着漏源偏压从零开始增加,Cofd先保持不变再开始衰减,其衰减速率随栅源偏压的增加而减缓;AlGaN势垒层中施主杂质浓度的减小和Al组分的减小都可引起阈值电压的正向漂移,正向阈值漂移会加强沟道长度调制效应对Cofd的影响,导致Cofd呈线性衰减.在大漏极偏压工作情况下,Cofd对器件工作温度的变化更加敏感.     

有限群共轭类长度的一点注记

假设G=AB是子群A和B的互相置换积。通过A?B中元素的共轭类长度给出了群G的结构，推广了一些最近的结论。     

Is it True That the Normal Valence‐Length Correlation Is Irrelevant for Metal–Metal Bonds?

The most intriguing feature of metal–metal bonds in inorganic compounds is an apparent lack of correlation between the bond order and the bond length. In this study, we combine a variety of literature data obtained by quantum chemistry and our results based on the empirical bond valence model (BVM), to confirm for the first time the existence of a normal exponential correlation between the effective bond order (EBO) and the length of the metal–metal bonds. The difference between the EBO and the formal bond order is attributed to steric conflict between the (TM)_n cluster (TM=transition metal) and its environment. This conflict, affected mainly by structural type, should cause high lattice strains, but electron redistribution around TM atoms, evident from the BVM calculations, results in a full or partial strain relaxation.     

Aromaticity Relocation in Perylene Derivatives upon Two‐Electron Oxidation To Form Anthracene and Phenanthrene

We prepared perylene dications 1 ²⁺ and 2 ²⁺ by using “capped” perylene derivatives, and for the first time, successfully obtained single crystals of a perylene dication 1 ²⁺ that enabled us to perform its structural analysis. We realized that the substituted aryl groups on perylene control the positions of positive charges, thus the remaining electronic system satisfies Clar's sextet rule toward the highest number of localized sextets. Experimental and theoretical evidence proved that Clar's aromatic π‐sextet rule could be applied even for the dicationic perylenes in a very simple way.