铈和钴九—钨—三一钒杂多酸盐合成和性质

报道了Ｋ９（Ｖ３ＣｏＷ９Ｏ４０）１４Ｈ２Ｏ和Ｋ１５［Ｃｅ（Ｖ３Ｗ９Ｏ３９）２］１６Ｈ２Ｏ的合成，并利用ＩＲ，ＸＲＤ及ＴＧ—ＤＴＡ等方法对合成化合物性质进行研究，结果表明，新合成的化合物分子保持了母体酸的Ｋｅｇｇｉｎ结构骨架，两种产物晶体结构也相似．从热谱分析得知：化合物的热能过程分为两个阶段，第一阶段为失去结晶水，第二阶段为热分解，热分解温度Ｋ９（Ｖ３ＣｏＷ９Ｏ４０）１４Ｈ２Ｏ是３９０～４３０℃，Ｋ１５［Ｃｅ（Ｖ３Ｗ９Ｏ３９）２］１６Ｈ２Ｏ是３９５～４２５℃区间     

N-烷基-N′-取代苯基硫脲类化合物合成的研究

本文通过取代邻氨基苯甲酸与烷基异硫氰酸酯的加成反应,合成了8个N-烷基-N’-取代苯基硫脲类化合物。这些化合物的结构分别通过元素分析、红外光谱、核磁共振及紫外光谱等方法进行了鉴定。     

新N-乙酸取代氮杂冠醚配合物的合成与表征

以 N-取代氮芥、水杨醛、1,2丙-二胺和溴乙酸为原料合成了3.4:1 2.13-二苯并-16-甲基-8-苄基-5,11-二氧杂-1,8,15-三氮杂环十七烷-N,N′-二乙酸的钾、铜配合物,并使用了元素分析、IR、IHNMR、UV—VIS 和电导等方法进行了表征。     

Self-assembled structure of alkyloxy substituted benzoic acid methyl ester on HOPG：An STM study

Self-assembled structures of 3,4,5-tris-dodecy-loxy benzoic acid methyl ester (E12), 3,4,5-tris-tetradecy-loxy-benzoic acid methyl ester (E14) and their mixture (E12/E14) have been studied on HOPG by scanning tunneling microscopy (STM). Dimer-like patterns induced by dipole-dipole interaction are observed in E12 and E14 monolayers. The molecules form close-packed rows and interdigitate with the alkyl chains in adjacent molecules. The structural differences are proposed to be from the different length of substituted alkyl chains. Owing to similar adsorption energy, phase separation is observed in the E12 and E14 mixed adlayer with different domains.     

贝叶斯规整化神经网络预测苯取代物的毒性

利用贝叶斯规整化神经网络(BRNN)研究了59种苯取代的环境毒性和分子结构的关系.建立了基于脂水分配系数和4种量子指数的QSAR环境毒性预测模型.结果表明:该模型的预测性能超过偏最小二乘法(PLS)和逐步线性回归方法,残差分析显示其稳定可靠,有望成为一种良好的苯取代物毒性的环境评价和预测的方法.     

(C_3H_5N_2)_2Na_8[{Co(H_2O)}_2WO(H_2O)(AsW_9O_(33))_2]·33H_2O的合成及晶体结构

在pH=5.5和80℃下,Na_2WO_4.2H_2O,NaAsO_2.6H_2O,Co(NO_3)_2.6H_2O和咪唑的水溶液反应,得到了高产率的夹层型杂多酸盐(C_3H_5N_2)_2Na_8[{Co(H_2O)}_2WO(H_2O)(AsW_9O_(33))_2].33H_2O单晶,用X射线单晶衍射法及元素分析确定了其结构.结果表明:该晶体属四方晶系,空间群P-421m,a=1.7191(10),c=1.6376(13)nm,V=4.840(5)nm3,Z=2,R1=0.0484,wR2=0.0714(I>2σ),杂多阴离子[{Co(H_2O)}_2WO(H_2O)(AsW_9O_(33))2]10-具有C2ν对称性,Co2+的配位数均为5.讨论了(CHN)Na[{Co(HO)}WO(HO)(AsWO)].33HO的形成条件.     

Nd:YIG磁和磁光性质理论研究

应用量子力学理论计算了Ｎｄ：ＹＩＧ和Ｎｄ＾３＋在ＯＫ～３００Ｋ热力学温度范围内的磁矩及它对Ｆａｒａｄａｙ偏转的贡献，结果表明Ｎｄ：ＹＩＧ稀土次点阵的磁光疚主要来源于离子内４ｆ＾３→４ｆ＾２５ｄ电偶极跃迁，晶场和交换作用是决定磁矩和磁光效应的两具重要因素。在计算基组态的晶场劈裂时，必须考虑＾４Ｉ谱项的４个多重态间的混合，否则会引起较大误差，计算结果与实验符合良好。     

卤代蔗糖类甜味剂

论述了卤代蔗糖甜味剂的应用和研究发展进程 ;分析了卤代蔗糖的结构与甜度的关系 ,并探讨了它们的合成方法     

有机铵表面修饰型针铁矿萃淋材料萃CrO_4~（2－）研究

利用不同取代基有机按的正电性，对控制等电点条件下合成的针铁矿电负性表面进行修饰负载。采用红外光谱，热分析与扫描电镜研究材料的一些基本物性；考查了材料在以铬酸根为代表的二价阴离子萃取体系中有机铵不同取代基和体系中酸碱性对萃取性能的影响规律及其解释，萃取过程动力学因素。该萃淋材料对ＣｒＯ单级提取率大于百分之九十，萃取速度快，半萃取率所需时间仅１分钟左右。     

An EQCM study of the electrochemical behaviors of polycrystalline gold electrode in sulfuric acid solution

The electrochemical quartz crystal microbalance (EQCM) was applied to study the electrochemical behaviors of polycrystalline Au in sulfuric acid solution. The large mass change observed in the doublelayer region was attributed to the partly discharged adsorption of sulfate anions with the co-adsorption of H₂O. According to the observed EQCM frequency response, the formation mechanism of surface oxide was reasonably postulated, in which the roles of the adsorbed anions and the co-adsorbed H₂O were particularly emphasized. Supported by the National Natural Science Foundation of China Chen Shengli: born in 1968, Ph. D.