Crystal Structure of N-(O-Ethylphenylthionophos-phonyl) N'-(O-p-iodinephenylphenylthionophos-phonyl)thiosemicarbazide

1mThODUCT'ONSomecomPOundsofN--thionophosphonylandN,N'--his(thionophosphonyl)thiOSemicarbazideshaveattractedmuchattentionandbeenextensivelystudiedinrecentyears"~'i.ThiskindofcomPOundsareknowntohaveobviousantibacterialandantifungalactivitiest3}.TherearetwochiralphosphoratomsinthecomPOundsofN,N'--his(thionophosphonyl)thiosemicarbazide.Inordertostudyfurthertherelationshipbetweenthestructureandbiologicalactivities,hereinwerePOrtthecrystalstructureofakindofN,N'--his(thionophosphonyl)thiose…     

CaAl3BO7：RE(RE=Ce,Gd,Tb)中稀土离子的光谱特性

采用固相反应法合成了CaAl₃BO₇RE(RE=Ce,Gd,Tb),研究了Ce³⁺,Gd³⁺和Tb³⁺的光谱特性。发现铈离子周围存在较强的晶场,使基态的4f能级劈裂较大,从而导致铈离子的特征发射峰重叠较大;Ce³⁺的5d能级明显低于Gd³⁺的⁶I、⁶P能级;Ce³⁺和Tb³⁺之间存在有效的能量传递。     

Stable enols from Grignard addition to 1,2-diesters: serendipity rules

The temperature-dependent formation of a remarkably stable enol from the reaction of EtMgBr with a 1,2-diester was accidentally discovered. This compound was spectroscopically characterized (¹H and ¹³C NMR, IR), and both methyl carbonate and trimethylsilyl ether derivatives were prepared. A mechanism for the selective formation of the stable enol ester and its corresponding keto form was suggested, and the kinetic stability of the enol was also documented. The generality of the observation of such a stable enol ester was demonstrated with the use of other Grignard reagents, and also other 1,2-diesters. The reaction of EtMgBr with a series of 1,2-amide esters also produced stable enol amides. The remarkable stability of the enol esters was attributed to the steric hindrance present in the aryl ester moiety of these compounds, and further studies will address the origin of this effect.     

Nd2-xSrxCoO4±λ催化剂的合成及NO还原性能的研究

采用聚乙二醇凝胶法合成了Co系稀土复合氧化物Nd2-xSrxCoO4±λ(0.4≤x≤1.2), 以NO还原为探针反应及IR, TPD, TPR和化学分析等方法对催化剂的组成、结构进行了表征. 结果表明 所有样品都具有K2NiF4型结构, x=1.2时, 样品中有少量的SrCoO3杂相. Nd2-xSrxCoO4±λ复合氧化物中Co3+含量及晶格氧均随x增大而增加, NO的还原活性与Co3+含量以及氧空位的浓度有关.     

Gas‐phase geometries and energies of bis(2,2′‐bipyridine) interacting either with Cu(I) or Ag(I): Computational study

With a polarized double‐zeta basis set, we carried out MP2 and density functional theory geometry optimization of bis(2,2′‐bipyridine) interacting either with Cu(I) or Ag(I). The computed gas‐phase geometries of both Cu and Ag complexes present tetrahedral distortions around the ions. However, geometry optimization on Cu or Ag ions complexing with ammonia molecules yield perfect tetrahedral coordination and interaction energies comparable to those of the bis(2,2′‐bipyridine) complexes. Solid‐state laboratory studies on complexes of the same metal ions with substituted bis(2,2′‐bipyridine) revealed tetrahedral distortions around the ions, even stronger than those computed in the gas phase. From our analysis of the potential interaction energies we conclude that the origin of the larger distortions in the solid state result from stacking interactions. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 93: 395–404, 2003     

Darstellung und Aufbau von BaLi[BO3]

Preparation and Crystal Structure of BaLi[BO₃] For the first time colourless lamellar single crystals of BaLi[BO₃] have been prepared from intimate mixtures of BaO₂, Li₂O and B₂O₃. The structure determination from four-circle diffractometer data (MoKα , 882 independent reflections, R = 2.4%, R_w = 1.9%) confirms the space group P 2₁/c with Z = 4; a = 646.1(3), b = 710.7(2), c = 740.3(3) pm, β = 117.99(3)°. Characteristic units of the structure are layers {Li[BO₃]} parallel to (100) consisting of trigonal planar [BO₃] groups and distorted [LiO₅] pyramids. Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR), the Madelung Part of Lattice Energy (MAPLE) and the Charge Distribution (CHARDI) are calculated and discussed.     

Qualitative properties of solutions of an integral equation associated with the Benjamin–Ono–Zakharov–Kuznetsov operator

We study qualitative properties of solutions of an integral equation associated the Benjamin–Ono–Zakharov–Kuznetsov operator. We establish the regularity of the positive solutions without the assumption of being in fractional Sobolev–Liouville spaces. Moreover we show that the solutions are axially symmetric. Furthermore we establish Lipschitz continuity and the decay rate of the solutions.     

掺Nd3+的Sr3 Gd(BO3)3晶体的激光特性

介绍了一种新的硼酸盐激光晶体Nd^3＋：Sr3Gd（BO3）3的激光特性．采用氙灯作为泵浦源，获得激光输出为17．84mJ，总效率ηo=0.092％，曲线的斜效率ηs=0.27％．实验表明Nd^3＋：Sr3Gd（BO3）3晶体是一种新的有潜在应用价值的激光晶体．     

Vibrational spectroscopy of SnBr4 and CCl4 using Lie algebraic approach

The stretching and bending vibrational energies of SnBr₄ and CCl₄ are calculated in the one-dimensional framework. The dynamical symmetry group of tetrahedral molecule was taken into consideration to construct the model Hamiltonian in this framework. Casimir and Majorana invariant operators were also determined accordingly. Using the model Hamiltonian so constructed, we reported the vibrational energy levels of SnBr₄ and CCl₄ molecules accurately.      

Convex combination maps over triangulations, tilings, and tetrahedral meshes

In a recent paper by the first author, a simple proof was given of a result by Tutte on the validity of barycentric mappings, recast in terms of the injectivity of piecewise linear mappings over triangulations. In this note, we make a short extension to the proof to deal with arbitrary tilings. We also give a simple counterexample to show that convex combination mappings over tetrahedral meshes are not necessarily one-to-one. Mathematics subject classifications (2000) 05C10, 05C85, 65D17, 58E20