丙环唑配合物的合成、缓释性能及生物活性研究

Five propiconazole(L) complexes (ML₂Cl₂, M=Zn(Ⅱ), Cu(Ⅱ), Co(Ⅱ); ML₄Cl₂, M=Ni(Ⅱ), Mn(Ⅱ)) were prepared and characterized by elemental analysis and IR. These complexes exhibited favorable controlled release property, it took 40 to 120 hours to release 85% amount of ligand in the water. The toxicity determination to Botrytis cinera, Rhizoctonia cerealis, Gibberella zeae, Fussrium moniliforme and Colletotrichum orbiculare indicated that the fungicidal activities of the complexes were better than that of the ligand except Mn-complex to Rhizoctonia cereali. The EC50 of Zn-propiconazole were 0.045 2～0.144 1 μg·mL^-1, Co- and Ni-propiconazole were 0.066 3～0.210 4 μg·mL^-1 and 0.183 9～0.340 7 μg·mL^-1, respectively, and Mn-propiconazole were only 0.353 6～0.538 0 μg·mL^-1. The growth regulation experiment to wheat seeding by dressing treating indicated that inhibiting activities of the complexes to root length and stem height were weaker than that of the ligand.     

纳米PbSnO3的制备及其燃烧催化性能的研究

Nanocomposite PbSnO₃was synthesized by coprecipitation method , and its phase evolution process was investigated. The particle size, crystal form, and phase of samples were determined with XRD, TEM and EDS. The catalytic actiyity of sample on the thermal decomposition of RDX was investigated by DSC. The results show that nanocomposite PbSnO₃with the diameter of 9 nm can be obtained by calcining at 600 ℃ for 2 h, which crystal is cubic (pyrochlore type). The catalytic actiyity of nanocomposite PbSnO₃on the thermal decomposition of RDX is much higher than that of normal PbSnO₃. The nanocomposite PbSnO₃can decrease the peak temperature of thermal decomposition of RDX from 240.1 ℃ to 236.5 ℃, and the decomposition enthalpy ΔH of RDX increases 722 J·g^-1 （about 70%）.     

Synthesis and Characterization of ChiralLiquid Crystal CMPPCDP

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热谱重建法及其在热动力学研究中的应用

在热动力学研究中,大多数实验是在热导式热量计中进行的。由于量热系统的热惯性,记录得到的热谱会出现“失真”,为了正确方便地分析被研究过程的动力学性质,必须对所得热谱进行改造或重建。本文系统地提出了一种新的重建法,即热谱重建法。实验结果表明,该法可广泛应用于热动力学研究。     

C~4~0, C~4~0^+, Nb@C~4~0^+, NbC~3~9^+, Nb@C~4~0H~4^+的 量子化学研究

用量子化学从头计算方法研究了C~4~0,C~4~0^+,Nb@C~4~0^+,NbC~3~9^+,Nb@C~4~0H~4^+的几何构型、电子结构和C~2~8一样,C~4~0(T~d)基态也为^5A~2态,笼骨架上具有四个悬挂键。计算结果表明C~4~0和C~4~0^+比NbC~3~9^+和Nb@C~4~0^+稳定,与实验结果一致。     

含吩噻嗪金属配合物的合成及非线性光学性质研究

本文报道了一种新的配体:10-乙基-3-甲酰吩噻嗪缩肼基二硫代甲酸甲酯(HL)及其金属配合物的合成。采用了元素分析、质谱、核磁共振、红外光谱对配体及其金属配合物进行了表征。此外,并应用紫外、荧光和Z-扫描技术,测定了配体及其金属配合物的荧光最佳发射波长(λ_max^em)、荧光量子产率(Φ_f)、寿命(τ)和非线性光学性质。结果表明它们在DMF溶液中都能发射出较强的橄榄色荧光,配体及其金属配合物都有双光子吸收,并且金属配合物的非线性光学效应比配体明显增强。用半经验量子化学方法(RHF/PM3)计算结果与实验值较为吻合。     

碳化钨负载S2O8^2-/ZrO2固体超强酸催化剂上的正戊烷反应研究

首次研究了碳化钨负载S2 O2 -8 ZrO2 (PSZ)固体超强酸催化剂 (WC PSZ)上正戊烷的反应情况及影响催化剂活性的各种因素 ,并用GC MS ,XRD ,BET等手段分析了正戊烷反应产物和催化剂的物理化学性质等 .结果表明 :WC PSZ对正戊烷具有异构化和裂解的双重催化作用 .PSZ在负载适量碳化钨后对正戊烷反应的活性和选择性显著提高 ,显示出优于Pt PSZ催化剂的效果 ,碳化钨的负载量为 2 0 %的效果最佳 .适当的焙烧、活化和反应温度等条件是取得良好反应效果的关键     

Accelerated Hydrolysis of p-Nitrophenyl Picolinate Catalyzed by Metallomicelle Made from a Novel Macrocyclic Polyamine Copper（Ⅱ） Complex

A copper（Ⅱ） complex 1 of a novel macrocyclic polyamine ligand with hydroxylethyl pendant groups, 4,11-bis（hydroxylethyl）-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane （L） has been synthesized and characterized. Rate enhancement for hydrolysis of p-nitrophenyl picolinate （PNPP） catalyzed by 1 was studied kinetically under Brij35 micellar condition. For comparision, the catalytic activity of corresponding copper（Ⅱ） complex 2 of non-substituted macrocyclic polyamine ligand, 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraaza-cyclotetradecane （L＇） toward the hydrolysis of PNPP was also investigated. The results indicate that the macrocyclic polyamine copper（Ⅱ） complex 1 effectively catalyzed the hydrolysis of PNPP, and the pendant ligand hydroxyl group or deprotonated pendant ligand hydroxyl group can act as catalytically active species in the reaction. A ternary Complex kinetic model involving metal ion, ligand and substrate has been proposed, and the results confirmed the reasonability of such kinetic model.     

基于MCM-41分子筛表面的镱离子印迹聚合物的制备及其性能

运用离子印迹技术,以3-氯丙基三乙氧基硅烷为锚定剂,将功能单体直链聚乙烯亚胺(PEI)接枝在MCM-41分子筛表面,选择镱离子作为模板离子,以环氧氯丙烷交联制备出基于MCM-41表面的镱离子印迹聚合物Yb(Ⅲ)-IIP-PEI/MCM-41,并以同样的方法制备非离子印迹聚合物(NIP-PEI/MCM-41)。 利用傅里叶变换红外光谱仪和扫描电子显微镜等技术手段对Yb³⁺印迹聚合物进行表征,采用静态吸附法确定了Yb(Ⅲ)-IIP-PEI/MCM-41对Yb³⁺的最佳吸附条件及选择性吸附性能。 结果表明,Yb(Ⅲ)-IIP-PEI/MCM-41和NIP-PEI/MCM-41的最大吸附量分别为229.93和99.27 mg/g;印迹材料对Yb³⁺的吸附符合Langmuir模型;吸附平衡在40 min的时候基本可以达到,可以利用准二级动力学模型来描述其吸附过程;Yb(Ⅲ)-IIP-PEI/MCM-41对Yb³⁺具有较强的选择性,同时也具有很好的重复使用性能。 成功地将MCM-41和离子印迹聚合物的优点结合起来,制备出一种对稀土Yb离子既有高吸附量又有高选择性的吸附材料,为进一步将其应用在处理实际废水,分离回收低浓度稀土废水中的稀土元素等方面打下了基础。