Valence of elements in HgBa2Can-1CunO2n+2+delta (n=1, 2, 3, 4)

Valence of elements in HgBa2Can-1CunO2n+2+delta (n=1, 2, 3, 4) (both argon and oxygen annealed samples) were calculated. The result indicated for both argon and oxygen annealed samples, Hg had the lowest valence for the highest T-c sample. For fixed n, the valence of Cu in oxygen annealed samples was larger than that in argon annealed samples, indicating that oxygen annealed samples produce more carriers than argon annealed samples.

Three-dimensional quantitative structure-activity relationship of the opioid antagonist with potent anorectant activity of 3,4-dimethyl-4-(3-hydroxyphenyl) piperidine

A series of 3,4-dimethyl-4-(3-hydroxyphenyl) piperidine opioid antagonists with varying substituents on the nitrogen were evaluated for their effect on food consumption in obese Zucker rats. In developing three-dimensional quantitative structure-activity relationship (3D-QSAR) studies for this series of opioid antagonists, different structure alignments have been tested to predict the anorectant activities. The interaction energies between molecules and the probe atom were then correlated with anorectant activity using partial least squares (PLS) method. The steric and electrostatic features of the 3D-QSAR were presented in the form of standard deviation coefficient contour maps of steric and electrostatic fields. The results showed that 3D-QSAR results are much better than the results obtained by 2D-QSAR.

Photophysical properties of rare earth complexes with 3,4-furandicarboxylic acid and 1,10-phenanthroline

Synthesis, IR spectra, UV-vis spectra and photophysical properties of Gd3+, Eu3+, Tb3+ complexes with 3,4-furandicarboxylic acid and 1,10-phenanthroline are reported. Intramolecular energy transfer process for these complexes is discussed in detail. It is found that the intramolecular energy transfer efficiency depends on the relative positions between the resonance energy levels of the central rare earth ions and the lowest triplet state energies of ligands.

联萘衍生物的NMR表征Ⅱ.2,2′-(3,4-四酸二酐)二苯甲酰氧基-1,1′联萘

用一维 1HNMR、13CNMR方法研究了2,2′-(3,4 -四酸二酐)二苯甲酰氧基 -1,1′联萘的结构 ,并通过二维1H - 1H同核相关、13C - 1H异核相关及13C - 1H异核远程相关谱进一步地确定其1H谱和13C谱中各谱峰的归属 ,为同类化合物的表征提供了依据。

Electrochemical behavior of 3,4-dihydroxybenzoic acid in self-assembled monolayer electrode system

The self-assembled monolayer of cystamine was prepared on gold electrode and 3,4-dihydroxybenzoic acid (DHBA) was electrochemically deposited on cystamine surface as a functional group by electrostatic adsorption, namely, molecular deposition. It shows that the MD/SAM structure has a higher stability, and E-1/2 of the DBAH in MD/SAM shifts more negative than that of on naked gold electrode, The n-decanethiol was also used to fill defects in MD/SAM, it results in much better cyclic voltermmetric behavior.

3,4-二羟基苯甲酸在自组装结构中的电化学行为

电极与有确定取向的电活性基团之间的电子传递是电化学领域的研究热点．利用二维有序薄膜固定电活性官能团是一个成熟的方法［１］，主要包括ＬＢ技术和自组装技术，这两者都存在着样品合成困难的问题．近年来，通过表面逐层反应来固定电活性官能团已有研究，但是反应过程…

稀土3,4-呋喃二甲酸,1,10-二氮杂菲配合物的光物理性质

研究了稀土Ｇｄ３＋、Ｅｕ３＋、Ｔｂ３＋的３，４呋喃二甲酸，１，１０二氮杂菲（Ｐｈｅｎ）配合物的合成、红外光谱、紫外光谱及光物理性质。详细讨论了配合物的分子内能量传递过程。发现分子内能量传递效率依赖于稀土中心离子的共振发射能级与配体最低三重态能级之间的相对位置。

Gas permeation properties of copolyimides from 1,4-bis(3,4-dicarboxyphenoxy)benzene dianhydride and 2,2-bis(3,4-dicarboxyphenyl)hexafluoroisopropane dianhydride

A series of aromatic copolyimides was prepared from 1,4-bis(3,4-dicarboxyphenoxy)benzene dianhydride (HQDPA) and 2,2-bis(3,4-dicarboxyphenyl)hexafluoroisopropane dianhydride (6FDA) with 3,3'-dimethyl-4,4'-methylene dianiline (DMMDA) by a chemical imidization. The gas permeability coefficients of the copolyimides to H-2, CO2, O-2, N-2 and CH4 were measured under 7 atm. pressure. The fractional free volume of 6FDA-DMMDA is larger than that of HQDPA-DMMDA, while the chain segmental mobility of 6FDA-DMMDA is lower than that of HQDPA-DMMDA. The gas permeability of 6FDA-DMMDA is much higher than that of HQDPA-DMMDA but the permselectivity of 6FDA-DMMDA for H-2, CO2, O-2, N-2 over CH4 is lower than that of HQDPA-DMMDA. The experimental values of the gas permeability coefficients of the copolyimides are in satisfactory agreement with the values estimated from the gas permeability coefficients of the constituent homopolyimides and their weight fractions.

Syntheses and reactions of heterometallic complexes of nickel and copper with tetrathiotungstates. The molecular structures of [Ph(4)P](2)[S2W(mu-S)(2)Ni(S-2)] and W(mu-S)(4)Cu-2(PPh(3))(4)center dot py

Reaction of [Ph(4)P]2WS4 With NiCl2 in methanol solution in the presence of NaOCH3 leads to the formation of [Ph(4)P](2) [S2W(mu-S)(2)Ni(S-2)] (I) A Similar reaction between (NH4)(2)WS4 and NiCl2 under O-2 atmosphere in the presence of Ph(4)PCl or (n)Bu(4)NCl affords [Ph(4)P](2)([(S-2)W(O)(mu-S)(2)]Ni-2] (IIa) and [(n)Bu(4)N](2)([(S-2)W(O)(mu-S)(2)]Ni-2} (IIb) Under argon the same reaction gives [Ph(4)P](2)[Ni(WS4)(2)] (IIIa) and [(n)Bu(4)N](2)[Ni(WS4)(2)] (IIIb). [Ph(4)P](2)[Ni(WOS3)(2)] (IV) and [Ph(4)P](2)[Ni(WO2S2)(2)] (V) can be prepared from the reaction of [Ph(4)P]2WOS3 and [Ph(4)P]2WO2S2 with NiCl2. Treatment of (NH4)(2)WS4 with CuCl in the presence of PPh(3) in boiling pyridine produces W(mu-S)(4)Cu-2(PPh(3))(3) (VI), which can further react with excess PPh(3) to give W(mu-S)(4)Cu-2(PPh(3))(4) . py (VII). Complex I crystallizes in the space group P2(1)/n with the cell parameters: a = 20.049(4), b = 17.010(4), c = 14.311(7) Angstrom; beta = 110.24(3)degrees and Z = 4; R = 0.058 for 4267 independent reflections. The structural study confirms that complex I contains two terminal sulfide ligands, two bridging sulfide ligands, a side-on disulfide ligand, and a planar central W(mu-S)(2)Ni four membered ring. Complex VII crystallizes in the space group C2/c with the cell parameters: a = 26.436(8), b = 20.542(6), c = 19.095(8) Angstrom; beta = 125.00(3)degrees and Z = 4; R = 0.080 for 3802 independent reflections. The structural study reveals a perfect linear arrangement of the three metal atoms Cu-W-Cu.

3,4－聚异成二烯的合成及所得聚合物结构与性能表征

近二十多年来，在异成二烯的络合催化聚合中，由Ni、Co、Ti及稀土等过渡金属元素络合物组成的催化体系，研究报道得很多，有些已投入工业生产。但由最常见的过渡金属元素铁络合物组成的催化体系，对异成二烯聚的聚合却不多见。本工作研究了三乙酰基丙酮铁为主催化剂，烷基铝为助催化剂，添加含氮类给电子试剂组成三元体系，对异成二烯聚合的催化作用。Fe(a cac)_3 - Al(i-Bu)_3二元体系不能引起异成二烯聚合，而加入少量的含氮类给电子试剂如邻菲啰啉、α,α'－联吡啶等，催化活性显著提高。聚合活性与含氮类给电子试剂的性质有关，并随着下列顺序依次递减：邻菲啰啉、α,α'－联吡啶、对苯二胺、邻苯二胺，对硝基苯胺、邻硝基苯胺；吡啶和已二胺对催化活性的提高几乎没有贡献。烷基铝的不同对催化活性也有明显的影响。其活性顺序为：Al(i-Bu)_3 approx Al Eτ_3 > Al(i-Bu)_2H。首次合成了结晶的3,4－聚异成二烯，3,4－链节含量为70％左右时，Tm为121 ℃左右， Tc为65 ℃左右，透射电镜下观察到结晶的3,4－聚异成二烯具有球晶状结构。初步研究了铁系三元催化体系的反应机理，设想铁化合物和烷基铝生成的烷基铁必须与含氮类给电子试剂作用才能形成活性中心；可见光谱和催化活性实验数据证实了含氮类给电子试剂参与活性中心的形成，并起着稳定活性中心的作用。本文详细地研究了Fe(a cac)_3 - phen - Al(i-Bu)_3催化体系对异成二烯的聚合，考察了起始单体浓度、聚合温度，催化剂总用量以及催化剂各组分配比对聚合速率、聚合物的特性粘数和链节结构的影响，从实验结果讨论了Fe(a cac)_3 - phen - Al(i-Bu)_3体系催化异成二烯的聚合机理，并进行了一些动力学的基本计算，得到了与实验结果基本相符的结果，解释了一些实验现象。铁系聚异成二烯橡胶的表征工作未见诸文献，本工作对铁系聚异成二烯生胶的结晶、力学、流变及阻尼性能作了较系统的研究，并对硫化胶的物理机械性能，弹性及阻尼性能作了初步的表征。铁系聚异成二烯橡胶在室温具有较好的阻尼性能，并且生热值和冲击弹性均较低，可作为室温阻尼材料使用。

A new thermoplastic polyimide composite based on 1,4-(3,4-dicarboxyphenoxyl)benzene/4,4'-methylene dianiline

New thermoplastic polyimide (PEI) composites based on 1,4-(3,4-discarboxyphenoxyl)benzene/4,4'- methylene dianiline have been fabricated by the approach of polymerization by the approach of polymerization of monomer reactants (PMR). The chemical and physical behavior of the resin during processing are determined by infrared spectroscopy and rheology. The influence of processing conditions on the composite properties is investigated. The processing, physical and mechanical properties of the composites reinforced with different fibers are presented.

DICHLORO(ETA(5)-CYCLOPENTADIENYL)([1-(4-METHOXYPHENYL)CYCLOHEXYL]-ETA(5)-CYCLOPENTADIENYL)TITANIUM(IV)

The title molecule, [TiCl2(C5H5)(C18H21O)], has a pseudotetrahedral bent metallocene structure in which the cyclopentadienyl ring is symmetrically bonded to Ti [range of Ti-C distances 2.36(1)-2.41(1)Angstrom], but the substituted cyclopentadienyl ring adopts asymmetrical bonding [Ti-C 2.33(1)-2.48(1)Angstrom] due to the interaction of the large substituent with the Cl(2) atom. The angle C(11)-C(1)-C(21) is 111.1(8)degrees with the large substituent occupying a cis position with respect to the substituted ring.

晶性3，4－聚异戊二烯的结构研究

采用ＷＡＸＤ、ＳＡＸＳ和Ｘ－射线平板照相法研究了不同聚合条件和拉伸倍数下的晶性３，４－聚异戊二烯的结构．结果发现，降低催化体系反应速度有利于产物结晶；不同的含氮类给电子试剂对聚合物的结晶结构影响较大．取向样品随着拉伸倍数的增加结晶度和长周期增大，微晶尺寸变小．ＳＡＸＳ的散射强度计算表明，该聚合物属多分散非均一粒子体系，微孔半径在３．５－１６．４ｎｍ间．

La_(0.5)Sr_(0.5)CoO_(3)结构、气敏和导电性的研究

SnO_2,ZnO和Fe_2O_3等气敏元件目前还存在性能不一致、不稳定等缺点.为要寻找更稳定、选择性更好的敏感元件材料,我们用陶瓷工艺合成了钙钛矿型La_(0.5)Sr_(0.5)CoO_3复合氧化物.用x-射线衍射法测量了La_(0.5)Sr_(0.5)CoO_3的样品,其结构属于立方晶系,