稀土甘氨酸咪唑配合物[RE(Gly)4(Im)(H2O)](ClO4)3的热化学研究

采用溶解-反应量热法在具有恒温环境的溶解-反应热量计内,测定了[Gd(Gly)4(Im)(H2O)](ClO4)3和[Y(Gly)4(Im)(H2O)](ClO4)3两种稀土甘氨酸咪唑配合物的标准生成焓分别为(-3 461.46 ±0.22) kJ·mol-1 和(-3 926.6±0.90) kJ·mol-1.     

咪唑季铵盐棉纤维制备及其对DOSO_3~-吸附性能研究

本文用20%的NaOH溶液对棉纤维的预处理、醚化、接枝合成工艺进行了优化;在不同条件下,研究了咪唑季铵盐棉纤维对DOSO~-_3的吸附性能.结果表明,用NaOH预处理棉纤维后,在适当的条件下醚化棉纤维素,再用氢氧化钠作催化剂,按3 g环氧基纤维素醚与10 mL甲基咪唑配比接枝,得到白色味唑季铵盐纤维素.用咪唑季铵盐棉纤维对DOSO~-_3进行吸附,吸附率可达91.8%,吸附效果令人满意.     

Crystal Structure of Adduct 2-Phenyl-imidazo [ 4,5-f ] 1,10-phenanthroline Methanol

The structure of the title adduct comprises a phenanthroline derivative 2-phenyl-imidazo[4,5-f]1,10-phenanthroline and a methanol.The composition of the crystalline adduct was characterized as C19H12N4.CH3OH.It belongs to orthorhombic system,space group Pna21 with a=1.3693(4)nm,b=2.2988(7)nm,c=0.51338(15)nm,V=1.6160(8)nm^3.Z=4,and final R1=0.0423.wR2=0.1012 .Crystal structure shows that all the 19 carbon atoms and 4 nitrogen atoms are coplanar.The bond length data indicated that a very extensive conjugation system was formed.This conjugation makes the compound being a potentially excellent energy transformer used for luminescent materials.     

单线态氧(~1O_2)与咪唑1,4-环加成反应的理论研究

本文用量子化学从头计算方法对单线态氧(~O_2)与咪唑环加成反应的机理进行了理论研究.用能量梯度法优化获得了实验上尚未检测到的侧式桥环过氧化物(endoperoxde)的结构,并在势能面上确定了单线态氧与咪唑1,4-环加成反应的过渡态.通过对过渡态的结构特征,虚振动方向,电荷分布情况以及轨道相互作用的分析,说明这个反应的机理是同步和协同的;正反应的活化势垒为69.5kJ·mol~(-1),逆反应的活化势垒为140.4kJ·mol~(-1)(6-31G的结果).     

以4,4''''-二(咪唑基亚甲基)联苯为客体的环糊精类轮烷的合成与表征

以4,4'-二(咪唑基亚甲基)联苯(bibp)为客体,通过自组装合成了4,4'-二(咪唑基亚甲基)联苯和环糊精的[3]类轮烷,并通过元素分析,1HNMR,ESI-MS,IR,TG-DSC进行了表征和固体热稳定性等研究,结果表明:由于bibp客体分子链较长,含有两个苯环,所以可穿入两个β-环糊精分子,形成[3]类轮烷.     

A Novel and Efficient Catalytic System for Aerobic Oxidative Coupling of 2-Naphthol Derivatives

The paper reported a novel and efficient aerobic oxidative coupling reaction of 2-naphthol derivatives catalyzed by CuCu (Ⅰ or Ⅱ)N-alkylimidazole complexes in excellent yields. The crystal structure of CuCu(Ⅱ)N-methylimidazole complex to be determined by X-Ray.