STUDY ON ESR SPECTRUM OF BIS(2-HYDROXYL-PHENYLKETOXIME)-COPPER (Ⅱ) COMPLEX

A better resolution of ESR spectrum of bis(2-hydroxyl-phenylketoxime)copper (Ⅱ) complex intetrahydrofuran (THF) solution, measured at liquid nitrogen temperature, was analyzed. From thespectrum, we have not only got hyperfine splitting of the ~(63)Cu and ~(65)Cu, but also very nice super-hyperfine splitting arising from ~(14)N nucleus. The g_x, g_y, g_z; A_x~(63), A_y~(63), A_z~(63); A_x~(65), A_y~(65), A_z~(65); A_∥~N andA_⊥~N etc. tensor parameters were determined rather reasonably. From these, we calculated the bondingparameters of this complex, and discussed its electronic structure.     

分子筛修饰电极的研究（Ⅰ）：氢醌／醌电对在分子筛修饰电极…

考察了中性分子电对Ｈ２Ｑ／Ｑ在１３Ｘ型分子筛修饰电极上的电化学行为。发现Ｈ２Ｑ／Ｑ电对在修饰电极上电响应迅速，为双电子可逆反应，不受溶液温度及是电极与溶液相对运动的影响，而与溶液的ｐＨ值有关。当ｐＨ≤２．０时，修饰电极对Ｈ２Ｑ／Ｑ电对的氧化／还原有明显的催化作用。     

电化学合成镍配合物的研究

采用金属镍为“牺牲”阳极，首次在无隔膜电解槽中，电化学溶解金属镍一步 制备了纳米NiO前驱体Ni(Oet)2,Ni(Obu)2,Ni(Oet)2(acac)2，Ni(Obu)2(acac)2 [acac为乙酰丙酮基].产物通过红外光谱（FT-IR）、拉曼光谱（Raman spectrum） 进行表征。同时讨论了影响电合成镍醇盐及其配合物的关键因素。实验表明，防止 阳极钝化，温度控制在30-40℃，采用有机胺溴化物为导电盐，可以提高电合成效 率。     

电化学合成铜配合物的研究

采用金属铜为"牺牲"阳极,首次在无隔膜电解槽中,电化学溶解金属铜一步制备了纳米CuO前体Cu(OEt)2, Cu(OBu)2, Cu(acac)2, Cu(OEt)(acac), Cu(OBu)(acac) (acac为乙酰丙酮基).产物通过红外光谱(FT-IR)、拉曼光谱(Raman spectrum)进行表征.同时讨论了影响电合成铜醇盐及其配合物的关键因素.实验表明,防止阳极钝化,温度控制在30～50 ℃,采用有机胺溴化物为导电盐, 电极电位控制在0.8～1.2 V之间,可以提高电合成效率.实验同时表明Cu(acac)2, Cu(OEt)(acac), Cu(OBu)(acac)可作为制备含铜纳米材料前驱体.     

色谱灰色数模的建立及其应用研究(Ⅰ)──连续GM(1,N)模型的建立及色谱保留行为的预测

应用灰色系统理论和最小二乘原理，推导出连续GM（1，N）模型，并将该模型用于高效液相色谱中溶质保留行为的预测．研究了烷烃、烷基苯及对羟基苯甲酸酯等化合物的容量因子与流动相组成、容量因子与碳数、保留时间与温度、保留时间与碳数的关系，并建立了相应的数学模型，经验证，预测结果良好．     

氟硅酸钾容量法测定高量铝钛钨钼物料中二氧化硅

本文进一步试验了氟硅酸钾沉淀的生成条件、洗涤、水解和用氢氧化钠滴定的终点指示等。结果表明,于4.5—6N盐酸-硝酸混酸介质,含1.2—1.6克氟化钾的饱和氯化钾溶液(常温)中,沉淀氟硅酸钾为佳。沉淀以80毫升氯化钾-氟化钠混合洗涤液(35±2℃)洗涤,仍无明显水解现象。用150毫升沸水水解约80毫克二氧化硅,以硝氮黄为指示剂,氢氧化钠标准溶     

改善化学素质教育的尝试——开设《现代生活化学》课的体会

本文根据近六年来开课的经验，探讨了《现代生活化学》课的课程特色，教材建设，教学改革等问题，从学科历史发展，国际化学教育潮流，现实市场经济要求研究了该课程在改善学生化学素质方面的作用。     

~(14)N ENDOR Study on Bis(2-Hydroxylphenyl Ketoxime)-~(63)Cu(Ⅱ) Complex

The ENDOR spectrum of ~(14)N-~(63)Cu-HAP complex in DMSO/EtOH (5:1) freezing solution at 20 K has been studied using orientational selective method in this paper. The anisotropic superhyperfine coupling tensor and qusdrupole coupling tensor of ligand ~(14)N nucleus, and the superhyperfine coupling tensor of various ~1H nuclei have been measured precisely. Comparing the superhyperfine coupling tensor of ~(14)N-nucleus with previous work shows that the analytical method of spectrum is reasonable and the data are reliable in our previous work.     

Electrochemical Characteristics of Mg0.9Ti0.1-xZrxNi （x=0.02, 0.04, 0.06） Alloys

Mg-based hydrogen storage alloys Mg0.9Ti0.1-xZrxNi (x=0.02, 0.04, 0.06) were successfully prepared by means of mechanical alloying (MA). The effects of Zr addition on the discharge capacity and the cycle performance of the Mg-based electrodes were also studied. It was found that the discharge capacities were improved with addition of a small amount of Zr and the cycle performances of the alloy were stabilized with the addition of Ti. The effects of surface modification or coating on the properties of Mg0.9Ti0.06Zr0.04Ni were also studied. The results indicated that coating with graphite improved both the discharge capacity and cycle life of the amorphous Mg0.9Ti0.06Zr0.04Ni electrode.     

聚合物{[CuII(Hpb) (mal)]H2O}n :单体的量子化学计算和磁性研究

{[Cu^Ⅱ（Hpb）（mal）]H=O}n （Hpb=2-2＇-pyridylbenzimidazole, mal=maleic acid） is a helical chain-like polymer complex. In order to investigate the electronic structure of the complex, the monomer Cu^Ⅱ（Hpb）（mal） was obturated with different functional groups respectively. For these selective segments, the geometry optimizations were conducted by using hybrid DFT （B3LYP）methods to find that the structure obturated with H2O was better consistent with the experiment, and then this model would be used to latter calculations, such as the frontier molecular orbital and the NBO charge population analysis. In addition the magnetic behaviors of this complex were analyzed by experiments and the weak antiferromagnetic couple between copper（Ⅱ） ions was observed. The exchange coupling constant was calculated by DFT based on the spin broken symmetry formalism. The calculated coupling constants were in good agreement with the experimental data.