四-4-(2-正丁氧基乙氧基-羰基)酞菁铜(Ⅱ)在四氢呋喃和氯仿中的二聚物

本文通过对四-4-(2-正丁氧基乙氧基-羰基)酞菁铜(Ⅱ)在THF和CHCl_3溶液可见光谱的分析表征了它在一定的浓度范围(10~(-7)～10~(-5)mol/L)存在单分子和双分子聚集态之间的动态平衡。在THF和CHCl_3溶液中,双分子二聚物的离解常数K_d=C~2m/C_D分别是2.08(±0.05)×10~(-6)mol/L和1.10(±0.06)×10~(-6)mol/L。利用作图法,绘制出纯单分子和纯二聚物的可见光谱图。最后,对两种溶液可见光谱的区别进行了讨论。

4-(2-甲氧基乙氧基)-三-4-(2,4-二特戊基苯氧基)酞菁铜的合成及其LB膜特性研究

LB膜的特性在很大程度上决定于成膜分子的结构。铜酞菁衍生物具有大π键电子共轭体系,有明显的光电特性,成膜性好,很适于作LB膜气敏材料。我们在前期工作的基础上,为探明气敏特性与化合物结构间的关系,设计并合成了标题化合物,并对其LB膜的气敏特性进行了研究。

双[4-(2,4-二特戊基苯氧基)邻苯二腈铜]LB膜材料的合成

近年来,随着LB膜研究的进展,成膜材料的种类逐渐增多、其中有关酞菁衍生物LB膜材料的报道较多。本文合成了下述新型结构的化合物:

4-(2-Hydroxybenzylideneamino)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione

In the title compound, C12H11N7OS, the dihedral angles made by the thione-substituted triazole ring with the other triazole ring and the benzene ring are 71.56 (2) and 47.89 (3)degrees, respectively. Inter- and intramolcular hydrogen-bond interactions stabilize the structure.

4-(2-fluorobenzylideneamino)-3-(1,2,4-triazol-4-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione

In the title compound, C12H10FN7S, the dihedral angles made by the plane of the thione-substituted triazole ring with the planes of the other triazole ring and the benzene ring are 74.55 (2) and 11.50 (3)degrees, respectively. The structure shows a number of N - H center dot center dot center dot N intermolecular hydrogen-bonding interactions, and weak C - H center dot center dot center dot S intra- and intermolecular interactions.

Crystal structure and DFT studies of a triazole derivative: 4-(2-hydrobenzylideneamino)-3-(1,2,4-triazol-4-yl-methyl) 1H-1,2,4-triazole-5 (4H)-thione

A novel triazole derivative 4-(2-hydrobenzylideneamino)-3-(1, 2, 4-triazol-4-ylmethyl)-1H-1, 2, 4-triazole-5 (4H)-thione(1) was synthesized and characterized using elemental analysis, MR, and H-1 NMR, and its crystal structure was determined via X-ray single crystal diffraction analysis. Crystal data: monoclinic, P2 (1)/c, a = 0.83335 (9) nm, b = 1. 49777 (16) run, c = 1. 14724 (12) nm, beta = 107. 990 (2)degrees, D = 1. 470 Mg/m(3), and Z = 4. The geometries and the vibrational frequencies were determined using the density functional theory(DFT) method at the B3LYP/6-31G* level. To demonstrate the accuracy of the reaction route of compound 1, one of the important intermediates was also tested using the same method. The structural parameters of the two compounds calculated using the DFT study are close to those of the crystals, and the harmonic vibrations of the two compounds computed via the DFT method are in good agreement with those in the observed IR spectral data. The thermodynamic properties of the title compound were calculated, and the compound shows a good structural stability at normal temperature. The test results of biological activities show that it has a certain bactericidal ability.

稻田除草剂2甲4氯的分析

采用气相色谱法 ,测定水体中2甲4氯含量。方法为用乙醚提取水体中的2甲4氯 ,然后将提取液浓缩至1mL左右 ,甲酯化 ,用正己烷萃取 ,取正己烷层进行气相色谱测定。结果表明 ,本方法简便、快速 ,结果稳定 ,平均回收率为 (76.8±3.82) %。

Green light-emitting polyfluorenes with improved color purity incorporated with 4,7-diphenyl-2,1,3-benzothiadiazole moieties

By incorporating 4,7-diphenyl- 2,1,3 benzothiadiazole instead of 2,1,3-benzothiadiazole into the backbone of polyfluorene, we developed a novel series of green light- emitting polymers with much improved color purity. Compared with the state-of-the-art green light-emitting polymer, poly(fluorene-co-benzothiadiazole) (lambda max = 537 nm), the resulting polymers (lambda(max) = 521 nm) showed 10-20 nm blueshifted electroluminescence (EL) spectra and greatly improved color purity because the insertion of two phenylene units between the 2,1,3-benzothiadiazole unit and the fluorene unit reduced the effective conjugation length in the vicinity of the 2,1,3-benzothiadiazole unit. As a result, the resulting polymers emitted pure green light with CIE coordinates of (0.29, 0.63), which are very close to (0.26, 0.65) of standard green emission demanded by the National Television System Committee (NTSC). Moreover, the insertion of the phenylene unit did not affect the photoluminescence (PL) and EL efficiencies of the resulting polymers. PL quantum efficiency in solid films up to 0.82 was demonstrated. Single-layer devices (ITO/PEDOT/ polymer/Ca/Al) of these polymers exhibited a turn-on voltage of 4.2 V, luminous efficiency of 5.96 cd A(-1) and power efficiency of 2.21 lm W-1. High EL efficiencies and good color purities made these polymers very promising for display applications.

Novel hydrogen-bonded three-dimensional networks encapsulating one-dimensional covalent chains: [M(4,4 '-bipy)(H2O)4](4-abs)2 center dot nH(2)O (4,4 '-bipy=4,4 '-Bipyridine; 4-abs=4-aminobenzenesulfonate) (M=Co, n=1; M=Mn, n=2)

Two novel compounds, [Co(4,4'-bipy)(H2O)(4)](4-abS)(2).H2O (1) and [Mn(4,4'-bipy)(H2O)(4)](4-abs)(2).2H(2)O (2) (4,4'-bipy = 4,4'-bipyridine; 4-abs = 4-aminobenzenesulfonate), have been synthesized in aqueous solution and characterized by single-crystal X-ray diffraction, elemental analyses, UV-vis and IR spectra, and TG analysis. X-ray structural analysis revealed that 1 and 2 both possess unusual hydrogen-bonded three-dimensional (3-D) networks encapsulating one-dimensional (1-D) covalently bonded infinite [M(4,4'-bipy)(H2O)(4)](2+) (M = Co, Mn) chains. The 4-abs anions in 1 form 1-D zigzag chains through hydrogen bonds. These chains are further extended through crystallization water molecules into 3-D hydrogen-bonded networks with 1-D channels, in which the [Co(4,4'-bipy)(H2O)(4)](2+) linear covalently bonded chains are located. Crystal data for 1: C22H30CoN4O11S2, monoclinic P2(1), a = 11.380(2) Angstrom, b = 8.0274(16) Angstrom, c = 15.670(3) Angstrom, alpha = gamma = 90degrees, beta = 92.82(3)degrees, Z = 2. Compound 2 contains interesting two-dimensional (2-D) honeycomb-like networks formed by 4-abs anions and lattice water molecules via hydrogen bonding, which are extended through other crystallization water molecules into three dimensions with 1-D hexagonal channels. The [Mn(4,4'-bipy)(H2O)(4)](2+) linear covalent chains exist in these channels. Crystal data for 2: C22H32WN4O12S2, monoclinic P2(1)/c, a = 15.0833(14) Angstrom, b = 8.2887(4) Angstrom, c = 23.2228(15) Angstrom, alpha = gamma = 90degrees, beta = 95.186(3)degrees, Z = 4.

聚苯胺对2,5-二巯基-1,3,4-噻二唑氧化还原反应的电化学催化作用的循环伏安研究

研究了聚苯胺 ( PAn)膜电极在 2 ,5-二巯基 -1 ,3 ,4 -噻二唑 ( DMc T)溶液中电化学处理或浸泡后的循环伏安 ( CV)曲线的变化规律 .实验结果表明 ,PAn膜电极在 DMc T溶液中进行电化学处理或浸泡过程可使DMc T进入 PAn膜内部与 PAn形成复合物 .PAn对 DMc T的电化学催化作用可能和二者之间形成的电子给体 -受体复合物有关 .该复合物的电化学氧化还原特性不同于 PAn和 DMc T,其氧化还原反应速率和可逆性均优于 DMc T

三苯基锡-2-(1,2-亚乙二硫)亚甲基-3-羰基-5-芳基-4-戊烯酸酯的合成及晶体结构

由2-(1,2-亚乙二硫)亚甲基-3-羰基-5-芳基-4-戊烯酸与三苯基氢氧化锡反应,合成了九个标题化合物3.用X射线衍射法测定了3b的晶体结构.该晶体属三斜晶系,空间群Pl,α=0.9074(2)nm,b=1.6809(3)nm,c=2.1834(4)nm,α=77.57(3)°,β=88.04(3)°,γ=89.47(3)°,V=3.2503nm~3,Z=2;R=0.0592.由锡氧原子间距离可推测,该晶体中羧酸根作为双齿配体与锡原子形成了分子内五配位结构.

La_(2-x)Sr_xCuO_4和La_(2-x)Nd_xCuO_(4+y)的键共价性计算

使用复杂晶体化学键理论计算了La2 -x SrxCuO4 和La2 -xNdxCuO4 +y中各键的键共价性 ,讨论了键性随着掺杂的变化规律 .研究表明 ,对于 2 1 4结构 ,没有发现明显的化学键性与超导温度的关系 ,因此 2 1 4结构中有关超导现象产生的机理还有待于进一步研究.