An environmentally benign benzylic oxidation catalyzed by hypervalent iodine intermediate in water

An effective and environmentally benign benzylic oxidation for transition of alkylarenes into the corresponding carbonyl compounds was reported.Alkylarenes were mixed and stirred with potassium bromide,m-chloroperbenzoic acid and a catalytic amount of iodobenzene in water at 60 8C for several hours,a series of the corresponding carbonyl compounds was obtained in moderate to good yields.In the reaction,iodobenzene was first oxidized by m-chloroperbenzoic acid into the hypervalent iodine intermediate which then reacted with potassium bromide to form the key radical initiator for the benzylic oxidation.     

Pyrrole alkaloids from <Emphasis Type=Italic>Alhagi sparsifolia</Emphasis>

The novel pyrrole alkaloid alhagifoline A (1) together with the two known analogs pyrrolezanthine (2) and pyrrolezanthine-6-methyl ether (3) were isolated from the aerial part of Alhagi sparsifolia. Their structures were established based on spectral (HR-ESI-MS, ¹ H and ¹³C NMR, ¹ H–¹ H COSY, HSQC, HMBC) data. Compounds 2 and 3 were isolated from the genus Alhagi for the first time.     

Existence of Surface Waves and Band Gaps in Periodic Heterogeneous Half-spaces

We find a sufficient condition for the existence of surface (Rayleigh) waves based on the Rayleigh-Ritz variational method. When specialized to a homogeneous half-space, the sufficient condition recovers the known criterion for the existence of subsonic surface waves. A simple existence criterion in terms of material properties is obtained for periodic half-spaces of general anisotropic materials. Further, we numerically compute the dispersion relation of the surface waves for a half-space of periodic laminates of two materials and demonstrate the existence of surface wave band gaps.     

核磁共振数据的参数化谱分析方法

讨论参数化谱分析方法的基本原理以及基于高阶Yule-Walker方程组的参数计算方法,提出了一种新的从数据中估计谱线根数的方法,实验表明,该方法是有效的。     

测定核间距的不对称2D NOESY方法2.Cis-Pt(NH3)2(Guo)2Cl2的不对称2D NOESY实验研究

应用不对称2DNOESHY实验方法研究了顺铂配合物Cis-Pt (NH₃)₂(Guo)₂Cl₂的水溶液中的构象,表明鸟苷同铂配合后其糖环构象发生明显的变化。     

解大型线性方程组的ATOR方法

本文提出了一种数值求解大型稀疏线性方程组Ax=b的具有三个参数的迭代法,我们称之为ATOR法,并且指出,熟知的Jacobi法、Gauss-Seidel法,SOR法,AOR法和TOR法为其特例.同时,我们对具有某些性质的系数矩阵A——Hermite正定矩阵、H-矩阵、L-矩阵和对角占优矩阵,讨论了ATOR法的收敛性以及给出了迭代矩阵谱半径的表达式和上界估计。     

ComBn(m+n≤6)团簇的结构，电子特性和磁性研究

基于密度泛函理论和卡里普索结构预测方法,系统研究了ComBn(m+n≤6)团簇的结构,电子特性和磁性。首先,通过卡里普索结构预测方法获得了体系的基态和亚稳态结构。基于基态结构,利用HOMO-LUMO能隙,垂直电离势,垂直电子亲和势和化学硬度分析了掺杂体系的稳定性。最后,研究了基态结构对应的自然布局分布,自然电子组态等电子特性和磁性。     

气液界面微观结构研究的一种实验新方法

许多物理、化学和生物过程发生于气液界面,且受到局域微观结构的深远影响. 不同于液体的体相,分子取向是界面处微观结构突出的不对称特征之一. 本文综述了电子碰撞时间延迟质谱方法和近期取得的进展. 利用这个崭新的方法,不仅可以侦测得到利用小角度X射线或中子散射以及振动和频光谱方法获得的界面微观结构,同时也提供了一种研究气液界面处电子驱动化学反应的实验方案.