柔性双咪唑基配体的合成、结构表征及量子化学计算

以咪唑与间二氯甲基苯为原料合成二水合[1,3-二(N-咪唑基甲基)苯]柔性双咪唑配体,通过IR、1H NMR和元素分析对配体进行了表征,并利用X射线单晶衍射仪对其结构进行了鉴定.晶体结构分析表明,该标题化合物属单斜晶系,空间群C2,晶胞参数为a=1.6852(6)nm,b=0.9529 (3)nm,c=0.46494(16)nm,β=100.552(4)°,V=0.7340 (4) nm3,Z=2,Dc=1.241g·cm-3,F (000)=292,μ＝0.086mm-1,最终偏差因子R1=0.0323,wR2=0.0826.运用HF/6-31G(d)方法对其分子结构进行了理论研究,结果表明,该配体的端基N原子活性较高,易于与中心金属原子配位.     

咪唑及其衍生物的合成研究进展

咪唑及其衍生物作为药物中间体,在生物学、医学、有机化学中占据重要位置.目前咪唑的合成方法主要包括Radziszewski法、Phillips法、溴乙醛法.咪唑衍生物的合成方法主要包括金属催化剂合成法、酸性催化剂合成法、离子液体催化剂合成法等.本文对咪唑及其衍生物的合成方法进行了总结与归纳,并阐述了各种方法的优缺点.     

One-dimensional Coordination Polymers of rctt-1,3-Diphenyl-2,4-bis [2-（5-phenyl）- oxazolyl]cyclobutane with CuCI2 and COCl2

The Cu（Ⅱ） and Co（Ⅱ） supramolecular coordination polymers, [CuCl2（DPO）- （CH3CN）0.5（CH2Cl2）0.5]n （CuDPO, DPO = rctt-1,3-diphenyl-2,4-bis[2-（5-phenyl）oxazolyl]cyclo- butane） and [CoCl2（DPO）]n （CoDPO）, were synthesized and characterized by single-crystal X-ray diffraction method. CuDPO crystallizes in monoclinic, space group P21/n, with a = 11.243（5）, b = 16.070（8）, c = 19.872（9） A, β = 95.678（10）°, Z = 4, V= 3573（3） A3, C35.50H28.50Cl3CuN2.50O2, Mr = 692.00, Dc = 1.287 g/cm3, p = 0.868 mm^-1, F（000） = 1420, S = 1.089, （△/σ）max = 0.069, the final R = 0.0682 and wR = 0.1749. CoDPO is of monoclinie, space group P21/n, with a = 11.396（4）, b = 15.151（5）, c = 17.673（6） A, β = 90.528（6）°, Z = 4, V = 3051.4（17） A3, C34H26Cl2CoN2O2, Mr = 624.40, Dc = 1.359 g/cm3, μ = 0.770 mm^-1, F（000） = 1284, S = 0.981, （△/σ）max = 0.001, the final R = 0.0471 and wR = 0.0961. In each case, the metal cation is coordinated by two C1 anions and two N atoms from oxazole ring of the ligands, which leads to the formation of a one-dimensional polymeric structure. It is found that the cyclobutane ring of coordinated DPO adopts a distorted conformation in the crystal, which is attributed to the increased steric effect between adjacent aryl substituents for the coordination of oxazole ring to metal cation. Thermal gravimetric analysis of the two complexes was also observed.     

N,N'-双(膦酰基苯基次甲基)-2-咪唑啉酮及2,3-哌嗪二酮的合成

许多天然存在和人工合成的氨基磷酸因具有抗菌、除草、植物生长调节等多方面的生物活性，从而使这一领域的研究十分活跃［’］。而２一咪哩琳酮和２，３一派嗓Ｍ酮也是具有除草、杀菌等多种生物活性的化合物Ｉ’］，因此我们设计将ａ一氨基磷酸引入到２一眯吃财酮及２，３服喀二酮的结构中，设计并合成了Ｉｌｌ、Ｗ两类新化合物，以期找到高生物活性的化合物。１实验部分ＢｒｕｋｅｒＡＣ．Ｐ２００型核磁共振仪，ＴＭＳ为内标，溶剂ＣＤＣ１３；ＶＧＺＡＢ－ＨＳ型质谱仪；Ｙａｎａｃｏ．ＣＨＮＣＯＲＤＥＲＭＴ－３型元素自动分析仪；硅胶…     

3-丙烯酰胺基-9-乙基咔唑/碘鎓盐体系敏化甲基丙烯酸甲酯光聚合

研究了 3_丙烯酰胺基_9_乙基咔唑 (AAECZ) /氯化二苯基碘钅翁盐 (DPIOC)组成的光敏引发体系引发的甲基丙烯酸甲酯 (MMA)光聚合 ,并研究了各因素对聚合速率的影响 ,得到了聚合动力学方程 ;讨论了温度对聚合反应的影响 ,并探讨了引发机理     

Solvent-free Synthesis, Crystal Structure and Thermal Stability of Ionic Liquid 1-Hexadecyl-3-methylimidazolium Bromide

Ionic liquid 1-hexadecyl-3-methylimidazolium bromide [C16mim]Br was synthesized by solvent-free alkylation of N-methylimidzole with hexadecyl bromide. A large transparent single crystal of 1-hexadecyl-3-methylimidazolium bromide monohydrate （[C16mim]Br·H2O）, 4 mm in length, was firstly obtained in the water-trichloromethane-toluene growth system （Vwater＇Vtrichloromethane＇Vtoluene = 0.1：1：2）. The crystal structure was determined by single-crystal X-ray diffraction method. It crystallizes in the triclinic system, space group P1, with a = 5.4962（15）, b = 7.839（2）, c = 27.279（8） A, α = 94.375, β = 91.500, γ = 101.999°, Z = 2, V = 1145.2（5） A3, C20H41BrN2O, Mr = 405.46, Dc = 1.176 Mg/m3, μ = 1.804 mm^-1, F（000） = 436, the final R = 0.0523 and wR = 0.1345. The 3D supramolecular structure is constructed through weak interactions between imidazolium cations, Br- anions and lattice water molecules. The long alkyl chain to the imidazolium ring and lattice water molecules play an important role in the self-assembly process. Moreover, it is proposed that [C16mim]Br in water has aggregation behavior and the possible self-assembled structure is the interdigitated pattern. Finally, thermal stability of [C16mim][Br]·H2O was also studied by DSC and TGA analysis.     

三核铁钌簇配位取代反应的紫外与红外光谱研究

利用紫外光谱和红外光谱研究了十二羰基三铁和十二羰基三钌分别与二苯基乙炔和三苯基膦的配位取代反应。谱图数据揭示出原始物质消失和新物质形成过程，并对结果产物作了压片红外光谱测定，进一步证实了新物质的生成。     

多层纳米Au/DPO薄膜的荧光特性

在低压直流溅射沉积的纳米Au薄膜表面喷涂有机固体晶体2,5-二苯基恶唑（DPO）,制成具有（Au+DPO）单元结构的多层纳米薄膜。利用XRD表征多层纳米薄膜的晶体结构,通过SEM表征各层薄膜的表面形貌,并测试了多层纳米薄膜的紫外荧光特性。与纯DPO薄膜相比,多层纳米薄膜的紫外荧光峰出现了5 nm的蓝移,而且DPO荧光峰形貌发生改变。在多层膜中,DPO薄膜的荧光强度与薄膜层数成反比关系,而纳米Au膜的荧光强度与薄膜层数成正比关系。SEM与XRD测试结果表明,多层薄膜中的DPO薄膜随着薄膜层数的增加逐渐成为无定型结构。DPO薄膜与纳米Au膜相互作用,导致其晶体结构异于单层薄膜,进而改变了其荧光特性。     

含啉酮环的菊酰胺的合成

报道三种新菊酰胺的合成,以含氮杂环（啉酮环）（代替拟除虫菊酯结构中的醇部分 ,得到了新型菊酰胺,经初步测试具有杀虫活性。     

新型咪唑啉酮氧苯氧羧酸酯类化合物的合成及杀菌活性

新型咪唑啉酮氧苯氧羧酸酯类化合物的合成及杀菌活性