Synthesis of New Chiral C2-Symmetrical Bis(oxazoline )Compounds

New chiral C2-symmetrical bis(oxazoline)compounds bearing one isobutyl-,secbutyl-benzyl- or isopropyl-substituent at the 4-position have been prepared and characterized.     

在吡啶溶剂中氯化镍催化的溴代芳烃自身偶联反应

Pyridine was used as a solvent for homocoupling of aryl bromides catalyzed by nickel chloride/triarylphosphinein the presence of zinc and recycled easily.Triphenylphosphine was the best ligand for nickel in this coupling reac-tion.     

过渡金属配合物催化剂及其分子设计构思的发展与相互作用

讨论了某些不对称合成和α－烯烃定向配位聚合及α－烯烃氢甲酰化的过渡金属配合物向络合催化剂的发展与催化剂分子设计构思的发展及相互促进作用，并藉以说明过渡金属配合物定向络合物催化剂的分子设计已具备向计算机辅助设计发展的科学基础。     

抗卟啉抗体与卟啉的协同作用

meso -四 (α ,α ,α ,α - 0 -苯乙酰苯 )卟啉诱导的单抗 (MAb)导致meso -四 (α,α ,α ,α - 0 -苯乙酰苯 )卟啉Soret带来巨大红移 ,并且在meso -四 (α ,α ,α ,α - 0 -苯乙酰苯 )卟啉上产生巨大的诱导Cotton效应 (ICD) .借用ICD定量分析meso -四 (α ,α ,α ,α - 0 -苯乙酰苯 )卟啉同抗体的结合 ,表明在抗体超过meso -四 (α ,α ,α ,α - 0 -苯乙酰苯 )卟啉的情况下 ,既有 1∶1结合 ,又有 2∶1结合〔结合位点 :meso -四 (α ,α ,α ,α - 0 -苯乙酰苯 )卟啉〕     

Crystal Structure of (6S,9S,13R,14S)-7,8-Didehydro-3,7-dimethoxy-17-methylmorphinan-4,6-diol

1 INTRODUCTION (9S,13R,14S)-7,8-Didehydro-3,7-dimethoxy-4-hydroxy-17-methylmorphinan-6-one I is an impor- tant natural product that was used to ease pain, decrease blood pressure and diminish inflammation. In order to study the stereochemistry of the reduction of I with potassium boronhydride, the crystal structure of the title compound II was determined by X-ray diffraction method. 2 EXPERIMENTAL 2. 1 Instrument The melting point was measured on a Yanagimoto MP-500 apparatus…     

乙烯-α-烯烃共聚物的结晶性能及其临界序列结晶长度的研究

本文用DSC、WAXD及偏光显微镜(PLM)方法,研究了化学反应法催化剂合成的乙烯-α-烯烃共聚物的结晶性能及其临界序列结晶长度。结果表明,随共聚物中α-烯烃含量增大,共聚物的微晶尺寸、结晶度及熔点均逐渐减小,而晶胞参数增大。变化的辐度戊烯>辛烯。共聚物的临界结晶序列长度(n)和k值均戊烯<辛烯。上述结果表明影响支链进入晶格的主要因素是α-烯烃支链长度和结构。     

1—二茂铁甲酰基—4—芳基氨基硫脲的合成及光谱性质研究

通过二茂铁基甲酸肼与芳基异硫氰酸酯的加成反应合成了一系列1-二茂铁甲酰基-4-芳基氨基硫脲,产物结构经元素分析和红外光谱及核磁共振氢谱予以确认.     

CALCULATING THE MOLECULAR INTERNAL ROTATING STERIC FACTOR OF POLYMERS BY THE RADIATION CROSSLINKING METHOD

In this paper, calculating the molecular internal rotating steric factor of polymers by the radiation crosslinking method is studied and a relationship between the molecular internal rotating steric factor (σ) and crosslinking parameter βis established~([1]) by taking account of the effect of polymer chain flexibility on βvalue, σvalue of polymer obtained by this method is in agreement with that given with other method.     

反式和顺式HOOOH的电子光谱的理论研究

用密度泛函方法(DFT)和全活化空间自洽场方法(CASSCF)以及耦合簇理论(CCSD)优化了反式和顺式HOOOH的平衡几何构型, 用DFT计算了HOOOH顺反异构化反应的势能曲线和谐振动频率. 用含时密度泛函理论(TD-DFT)和二阶全活化空间微扰理论(CASPT2)计算了反式和顺式HOOOH垂直激发能. 计算结果表明: (1)反式异构体比顺式异构体稳定; (2)两种稳定构型的异构化反应有两种路径; (3)对于垂直跃迁能最低的单态和叁态, 反式的垂直跃迁能比顺式的低; (4)在单激发态中, CASPT2方法预测的顺式HOOOH寿命最长的激发态为21A′′, 其跃迁能是167.43 nm, 寿命为 1.44×10−5 s; 反式HOOOH寿命最长的激发态为21A, 其跃迁能是165.52 nm, 寿命为 2.07×10−5 s.