氢键缔合体的分子力场和振动光谱的研究

氢键缔合体的分子力场和振动光谱的研究孙泽民，王丰，唐作华，鄢国森（四川大学化学系，成都，６１００６４）关键词氢键，力常数，振动频率氢键缔合体的结构在一定程度上受单体间氢键作用的影响，而振动光谱对分子结构及其坏境的变化极为敏感，故其在探讨分子间氢键方面...     

铜(Ⅱ)配位树状高分子的研究进展

介绍了一类由铜配位的树状高分子化合物的配位方式、制备及其催化性质。树状高分子与铜配位方式主要有分子内酰胺键的配位和分子末端的端氨基配位或端酯基配位。同时介绍了铜金属纳米粒子的制备及性质。发现随着其代数的增加，所形成纳米粒子的尺寸逐渐减小，而且大大降低了纳米粒子的团聚现象。并探讨了此类大分子在该领域中的研究和应用前景。     

稀土配位催化马来酸酐-苯乙烯-N-苯基马来酰亚胺三元共聚合

采用稀土配位催化剂研究了马来酸酐、苯乙烯和N 苯基马来酰亚胺的三元共聚合反应 .考察了Al La物质的量的比、不同稀土元素、催化剂浓度、聚合反应时间、单体配比等因素对共聚合反应的影响 .利用核磁、红外、热分析等方法对共聚物进行了初步的表征     

1,4-双(4''''-溴苯酰基)苯的合成工艺改进

以对苯二甲酰氯和溴苯为原料,无水氯化铝粉末为催化剂,合成了1,4-双(4'-溴苯酰基)苯,其结构经1H NMR,IR和DSC表征.     

N掺杂可见光化催化剂的研究

The N-doped, yellow colored titanium oxide photocatalysts were prepared with Ti(SO4)2 and NH4HCO3 as precursors by precipitation method. The photocatalytic ability under the irradiation of UV or visible light for the catalysts prepared was studied by degradation of styphnic acid. The materials were characterized by EDS, XRD, FTIR, UV-Vis DRS, and XPS. The results indicate that the photocatalytic ability of catalysts is improved, especially the ability of visible light response. The results of UV-Vis DRS show that the response wavelength range of N-dopped nitrogen is red shifted, the absorption region is expanded to 476 nm.     

Photovoltaic Characteristics of a Naphthylamine Derivative

Organic photovoltaic （OPV） cells were fabricated via vacuum vapor deposition with {4-[2-（3-di-cyanomethylidene-5,5-dimethylcyclohexenyl）vinyl]phenyl}di（1-naphthyl）amine （DNP-2CN） as the electron donor, and fullerene （C60） as the electron acceptor. A thin film （10 nm） of tris（8-quinolinolato）aluminum （Alq3） was adopted as the buffer layer. A device based on this DNP-2CN exhibited an open circuit voltage （Voc） of 370 mV, a short-circuit current density （Jsc） of 0.61 mAocm 2, and a white-light power conversion efficiency （ η） of 0.09% （AM1.5, 75 mW.cm^- 2）.     

离子交换-双氧水氧化法制备纳米CeO2晶体

以99.995% Ce(NO₃)₃和强碱性阴离子交换树脂为原料，采用离子交换-双氧水氧化法合成制备出纳米CeO₂晶体。并就离子交换反应中的Ce³⁺浓度、树脂加入速度和离子交换温度及H₂O₂加入速度等条件对CeO₂粒径的影响进行了探讨，得出了离子交换-双氧水氧化法制备纳米CeO₂晶体的最佳工艺条件。FTIR、TEM分析表明，离子交换法无需对合成的Ce(OH)₃溶胶进行洗涤即可去除NO₃^-、CO₃^2-等阴离子杂质，并用H₂O₂将该溶胶氧化，经真空干燥可制得粒径分布均匀，平均晶粒尺寸约3 nm，高纯度的CeO₂粉体。     

8-羟基喹啉单体及二聚体质子转移反应的理论研究

Density functional theory （DFT） of quantum chemistry method was employed to investigate proton transfer reactions of 8-hydroxyquinoline （8-HQ） monomers and dimers. By studying the potential energy curves of the isomerization, the most possible reaction pathway was found. The total energy of 8-hydroxyquinoline was lower than that of quinolin-8（1H）-one, whereas the order was reversed in dimers. The findings explained the contrary experimental phenomena. The minimum reaction barrier of intramolecular proton transfer was 47.3 kJ/mol while that in dimer was only 25.7 kJ/mol. Hence it is obvious that proton transfer reactions of 8-HQ monomer have a considerable rate but it is easier to proceed for 8-HQ dimer than monomers. It implied that the hydrogen bond played an important role in depressing the activation energy of reaction. The mechanism of the tautomerization was discussed on the basis of theoretical results.     

黄芩苷元的Mannich反应

利用天然产物黄芩苷元（baicalein)在A环8－位碳上进行Mannich反应，合成 了11个新的Mannich碱化合物。反应温和，产物易纯化，收率达80％以上。同时考 察了伯胺与甲醛配比为1：2时，产物为二氢苯并E嗪类化合物和黄芩苷元A环上5－ ，6－，7－位羟基对8－位氢进行Mannich反应活性的影响。并对Mannich碱化合物 2b和2j进行盐酸成盐4b和4j，初步考察了它们的溶解度与黄芩苷元的差别。     

高频燃烧红外吸收光谱法测定钨钛合金中碳含量

建立高频燃烧红外吸收光谱法测定钨钛合金中碳含量的分析方法。在1980 W分析功率下,称取0.3 g样品,以2.0 g钨锡及0.5 g纯铁混合助熔,用高频红外分析仪测定碳。碳的含量在0.013%~0.050%范围内与红外吸收峰面积线性相关,相关系数为0.9993。碳的测定下限为3.6μg/g,方法检出限为1.08μg/g。该法测定结果的相对标准偏差为2.97%~4.11%(n=8),碳的加标回收率为96.2%~103.1%。该方法能够满足合金中碳含量的分析要求。