NMR studies on a palladium(II) complex containing an incompletely coordinated facultative pentadentate Schiff base ligand

Palladium(II) dichloride reacts with 1,10‐bis(2‐pyrrolyl)‐2,5,9‐triaza‐1,9‐decadiene to give a [Pd(C₁₅H₂₀N₅)]Cl complex in which the ligand is four‐coordinated, leaving one pyrrole group dangling. By using COSY, gHSQC, gHMBC connectivities and NOE experiments it has been concluded that one linkage isomer exists in DMSO solution, in spite of the fact that different sets of N atoms of potentially pentadentate ligand might be involved in coordination, and that the three chelate rings in the complex cation are arranged in a sequence: five‐membered, six‐membered, five‐membered which is different from that (5–5–6) found by x‐ray studies on the related [Ni(C₁₅H₂₀N₅)]Cl compound. NMR studies allowed an unambiguous assignment of all ¹H and ¹³C NMR resonances for the complex. Results of x‐ray structural analysis of [Pd(C₁₅H₂₀N₅)](CH₃COO)H₂O supported the five‐membered, six‐membered, five‐membered ring sequence in the [Pd(C₁₅H₂₀N₅)]⁺ complex cation and show an E (trans) orientation of the dangling pyrrole group with respect to the metal center. Copyright © 2002 John Wiley & Sons, Ltd.     

Ca(NO3)2•4H2O-catalysed Biginelli Reaction: One-pot Synthesis of 1,2,3,4-Tetrahydropyrimidin-2-ones/pyrimidine-2-thiones under Solvent-free Conditions

The synthesis of 1,2,3,4-dihydropyrimidinone/thione derivatives was achieved in good to excellent yields using calcium(II) nitrate as catalyst to promote the Biginelli three-component condensation reaction from a diversity of aromatic aldehydes, β-keto compounds and urea or thiourea. The reaction was carried out under solvent-free conditions.     

KF-Al2O3催化合成2-甲基-1-苄基苯并咪唑

苯并咪唑类杂环化合物具有杀菌、消炎、抗癌、抗氧化的活性,广泛用于食品的防虫和防腐,用于动、植物病毒的防治,人体疾病和肿瘤的防治[1-3],本文用KF Al2O3作催化剂,用DMF为溶剂,利用2 甲基苯并咪唑与苄基溴反应合成2 甲基 1 苄基苯并咪唑的新型方法,考察了诸因素对产率的影响,找出了最佳的反应条件。合成路线如下:1　实验部分1 1　仪器与试剂Brurer AM 500超导核磁共振波谱仪(溶剂CDCl3);CarloErbal1106型元素分析仪,NicoletIm pact410型红外光谱仪,KBr压片,HP1100型和Finnigan FTMS 2000型质谱仪(以上均由华东理工大学分析…     

Vessel Arrival Process and Queueing in Marine Ports Handling Bulk Materials

We study the vessel arrival process in bulk ports handling either cargo containers or minerals. Then we introduce the SHIP/G/1 queue to be able to study the queueing behavior at the port. We present approximations for the asymptotic probabilities of delay and the number of vessels at the port. Numerical examples show the accuracy of the approximations. In appendices, we provide details of the analysis of the number of vessels at the port and the correlation properties of the vessel arrival process.     

Hg1-xCdxTe/Cd1-zZnzTe的X射线反射率及半峰全宽的动力学研究

X射线衍射摇摆曲线的计算机模拟是一种获得材料晶体质量参量的有效方法，其中材料本征摇摆曲线的计算是计算机模拟的基础。用X射线动力学理论计算了Hg1-xCdxTe和Cd1-zZnzTe本征反射率曲线，并研究了组分、膜厚分别对本征反射率和半峰全宽的影响。结果表明Hg1-xCdxTe和Cd1-zZnzTe的本征反射率和半峰全宽与材料组分和厚度有明显的依赖关系，且该依赖关系取决于X射线在材料中的散射和吸收的相对强弱。薄膜的厚度也是直接影响本征摇摆曲线峰形、半峰全宽和反射率的重要因素，当薄膜厚度小于穿透深度时，表征本征反射率曲线的各个参量均与薄膜厚度有直接的关系。对于(333)衍射面，碲镉汞材料厚度大于7μm后，本征反射率和半峰全宽将不再发生明显变化。     

Synthesis of acetone oxime through acetone ammoximation over TS-1

The ammoximation of acetone to acetone oxime with 30 wt.% hydrogen peroxide over TS-1 has been studied. The conversion of acetone and the selectivity to acetone oxime can reach 99% and 94%, respectively. The by-products are the corresponding hydrazone, imine and small amounts of unidentified compounds. The influence of various parameters such as solvent, temperature, amounts of catalyst and the NH₃ to acetone molar ratio were investigated. This revised version was published online in August 2006 with corrections to the Cover Date.     

Complete assignment of the 1H and 13C NMR spectra of four 2‐substituted 4a,8a‐cis‐endo‐5,8‐methano‐4a,5,8,8a‐tetrahydronaphthalene‐1,4‐diones

The complete assignment of the ¹H and ¹³C NMR spectra of the title enediones, bearing as substituents N‐aziridinyl (a novel compound), methoxy, chloro and methylsulfanyl, is reported. Copyright © 2002 John Wiley & Sons, Ltd.     

将SVRT模型应用到单原子多原子反应F+CH2D2→CH2D/CHD2+DF/HF中

由于含时波包方法具有经典的直观又不乏量子力学的准确 ,选择含时波包方法来处理F +CH2 D2 →CH2 D/CHD2 +DF/HF反应 .把半刚性振转子 (SVRT)模型应用到该反应体系中 ,研究了两个通道中该反应从基态反应物开始在修正过的J1(MJ1)势能面上计算出来了反应几率、积分截面、速率常数 .反应几率随能量变化的图的数值结果给出了振荡结构 ,这些振荡结构是可以和动力学振荡联系起来的 .而这些振荡结构在积分截面随着能量变化的图中就被反应几率求和后的平均结果所掩盖了 .速率常数和实验结果的比较也得到了较好的结果 .     

EXACT CONTROLLABILITY FOR FIRST ORDER QUASILINEAR HYPERBOLIC SYSTEMS WITH ZERO EIGENVALUES＊＊＊

For a class of mixed initial-boundary value problem for general quasilinear hyperbolic sys-tems with zero eigenvalues, the authors establish the local exact controllability with boundary controls acting on one end or on two ends and internai controls acting on a part of equations in the system.