Asymmetric Henry reaction catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) complexes: metal-controlled reversal of enantioselectivity

[reaction: see text] C(2)-symmetric tridentate bis(oxazoline) and bis(thiazoline) ligands with a diphenylamine backbone have been investigated in the catalytic asymmetric Henry reaction of alpha-keto esters with different Lewis acids. Their Cu(OTf)(2) complexes furnished S enantiomers, while Et(2)Zn complexes afforded R enantiomers, both of them with higher enantioselectivities (up to 85% ee). Reversal of enantioselectivity in asymmetric Henry reactions was achieved with the same chiral ligand by changing the Lewis acid center from Cu(II) to Zn(II). The results show that the NH group in C(2)-symmetric tridentate chiral ligands plays a very important role in controlling both the yields and enantiofacial selectivity of the Henry products.     

From Discreteness to Continuity： Dislocation Equation for Two-Dimensional Triangular Lattice

A systematic method from the discreteness to the continuity is presented for the dislocation equation of the triangular lattice. A modification of the Peierls equation has been derived strictly. The modified equation includes the higher order corrections of the discrete effect which are important for the core structure of dislocation. It is observed that the modified equation possesses a universal form which is model-independent except the factors. The factors, which depend on the detail of the model, are related to the derivatives of the kernel at its zero point in the wave-vector space. The results open a way to deal with the complicated models because what one needs to do is to investigate the behaviour near the zero point of the kernel in the wave-vector space instead of calculating the kernel completely.     

Collective Diffusion and Strange-Metal Transport

We study a particular combination of charge and heat currents, which is decoupled with the heat current. The "heat-decoupled" (HD) current can be transported by diffusion at long distances, when the thermoelectric effect is small, large, or balanced. Using holographic models with momentum relaxation, we illustrate that the different thermoelectric effects correspond to the high temperatures and strong disorder, low temperatures, or special critical index. Meanwhile, the Einstein-like relation and the diffusion/chaos relation may be emergent. Assuming that the existence and features of HD modes appear in strange metals, we can predict that when the thermoelectric effect is not very large, the scaling of resistivity is predominantly controlled by the HD susceptibility and chaos; otherwise more physics is required.     

反应显微成像谱仪动量及能量分辨因素分析

在对反应显微成像谱仪的工作原理作简要介绍的基础上,全面分析了各种可能影响动量分辨的因素,并结合反应显微成像谱仪的技术参数分别对反冲离子动量分辨以及电子动量与能量分辨进行了详细计算和讨论,确定了反应显微成像谱仪的动量及能量分辨,并为进一步提高分辨提供了重要依据. 关键词： 动量分辨 能量分辨 反应显微成像谱仪 动量成像原理     

Mn掺杂GaN的电子结构及光学性质

采用基于密度泛函理论(DFT)的第一性原理平面波赝势法(PWP)计算Mn掺杂GaN(Ga1-xMnN)晶体的电子结构及光学性质,详细讨论掺杂后电子结构的变化.计算表明,Mn掺杂GaN使得Mn 3d与N 2p轨道杂化,产生自旋极化杂质带,Ga1-xMnxN表现为半金属性,非常适于自旋注入,说明该种材料是实现自旋电子器件的理想材料.另结合实验结果分析掺杂后体系的光学性质,发现吸收谱在1.3 eV处出现吸收峰,吸收系数随Mn2+浓度增加而增大.分析表明,该峰是源于Mn2+离子e态与t2态间的带内跃迁.     

氮化铟p型掺杂的第一性原理研究

采用基于密度泛函理论(DFT)的总体能量平面波超软赝势法，对Mg，Zn，Cd掺杂InN的32原子超原胞体系进行了几何结构优化，从理论上给出了掺杂和非掺杂体系的晶体结构参数，其中非掺杂体系的理论值与实验值符合很好. 计算了掺杂InN晶体的结合能，总体态密度、集居数，差分电荷密度，并对此做了细致的分析. 计算结果表明，相对于Zn和Cd，Mg_In在InN中的溶解度会更大，并能提供更多的空穴态，非常有利于InN的p型掺杂. 关键词： 氮化铟 p型掺杂 电子结构 第一性原理     

电荷屏蔽对快中子俘获过程的影响

本文计算在初生中子星中微子驱动的星风环境中弱电荷屏蔽对质子电子俘获反应的影响.结果表明电荷屏蔽对星风中核子的比加热率、熵等物理参量基本没有影响.但是可以明显提高电子丰度,而这种提高有力地支持了最新的快中子俘获核合成结果.     

低能He~(2+)入射He原子转移电离实验中出射电子成像研究

利用反应显微谱仪对70keV He2+-He转移电离过程中的出射电子进行了成像,研究了出射电子的空间速度分布特征.结果表明:电子主要集中在散射平面内;在散射平面内,电子速度分布介于零与入射离子速度Vp之间(即前向出射)且在散射离子和靶核核间轴处有一极小值,呈现出典型的双峰结构.出射电子的上述分布特征可由出射电子波函数σ振幅和π振幅的干涉进行定性解释,σ振幅和π振幅对出射电子波函数的贡献与碰撞参数相关.在小碰撞参数下,π振幅的贡献更加明显;而在大碰撞参数下,σ振幅的贡献更加显著.     

Topological Structure of Entropy of 4-Dimensional Axisymmetric Black Holes

Using the relationship between the entropy and the Euler characteristic, an entropy density is introduced to describe the inner topological structure of the entropy of 4-dimensional axisymmetric black holes. It is pointed out that the density of entropy is determined by the singularities of the timelike Killing vector field of spacetime, and these singularities carry the topological numbers, Hopf indices and Brouwer degrees, which are topological invariants. At last, Kerr–Newman black hole as an example of axisymmetric black holes is given. What’s more, the entropy and the latent heat of the topological phase transition of the black hole mentioned above are calculated and the latent heat just lies in the range of the energy of gamma ray bursts. This work is supported in part by the NSFs of China under Grant No. 10575068 and of Shanghai Municipal Committee of Science and Technology under Grant No. 04ZR14059 and Shanghai Leading Academic Discipline Project under Project Number: T0104.     

Four-Dimensional Newton’s Constant in Brane World with a Sloping Extra Dimension

We show the four-dimensional Newton’s constant obtained naturally from five-dimensional brane world with a tinily sloping extra dimension, which is independent of the bulk Weyl tensor. The corresponding universe is stiff fluid dominated when the slope of extra dimension is very small. Otherwise, the universe may be undergoing a self-acceleration at present epoch and have a decelerated phase in very recent past.