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首页> 外文期刊>Crystal growth & design >Mapping of Solvent-Mediated Molecular Self-Assembly of Iron(III) Discrete Compounds: Exploring Their Magnetic Behavior and Phosphatase-Like Activity
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Mapping of Solvent-Mediated Molecular Self-Assembly of Iron(III) Discrete Compounds: Exploring Their Magnetic Behavior and Phosphatase-Like Activity

机译：溶剂介导的铁（III）离散化合物的溶剂介导的分子自组装的测绘：探索其磁性行为和磷酸酶样活性

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摘要

Two newly synthesized Fe(III) based complexes, [Fe4L2(mu(3)-O)(2)(Cl)(2)(MeOH)(4)(H2O)(4) ](ClO4)(2) center dot 4H(2)O center dot MeOH (1) and [Fe2L3]center dot 4DMF (2) were isolated in solid crystalline form using the reaction of iron(III) perchlorate with the ligand H2L (H2L = 6,6'-( (1E,1'E)-hydrazine-1,2-diylidenebis (methanylylidene) )bis (2-m ethoxyphenol) . (DMF= N,N-dimethylformamide, MeOH = methanol). Compound 1 was self-assembled in MeOH, but when the solvent was changed to DMF, compound 2 was harvested. Furthermore, compound 1 was converted to compound 2 just by dissolving compound 1 in DMF. Sequential self-assembly and conversion of compound 1 to 2 were monitored by UV-vis spectroscopy and ESI-Mass spectroscopy in solution phase. Single crystal X-ray analysis showed that compound 1 has mu(3) -oxo bridged tetranuclear structure whereas compound 2 has puckered dinuclear structure. Magnetic studies indeed revealed frustrated magnetic spin for compound 1 whereas antiferromagnetic interaction was observed for compound 2. The spectrophotometrical investigation on their phosphatase like activity revealed remarkable hydrolytic efficiency for both the complexes. Michaelis-Menten-derived kinetic parameters suggest the competitiveness of the rate of P-O bond fission employing the phosphomonoester (4-nitrophenyl)phosphate (PNPP) in 97.5% DMF is 1 > 2, and the k(cat) value lies in the range 28.95-38.43 s(-1) at 298 K. Computational calculations have verified the higher catalytic activity of compounds 1 over 2 attributed to the large number of labile groups attached to the metal centers.
机译：两个新合成的Fe（III）基配合物，[Fe 4L2（mU（3） - -O）（2）（Cl）（2）（2）（2）（4）（4）（4）（4）（2）中心点4H（2）o中心点MeOH（1）和[Fe 2L3]中心点4dmf（2）以使用铁（III）高氯酸铁（H2L = 6,6' - （（ 1e，1'e）-羟基嗪-1,2-二叶肾上腺素（甲基丙烯））双（2-M乙氧基苯酚）。（DMF = N，N-二甲基甲酰胺，MeOH =甲醇）。化合物1在MeOH中自组装，但是当溶剂改变为DMF时，收获化合物2。此外，通过将化合物1在DMF中溶解化合物1，将化合物1转化为化合物2。通过UV-Vis光谱和ESI监测顺序自组装和化合物1至2的转化物 - 溶液阶段的微谱。单晶X射线分析表明，化合物1具有μ（3） - 氧化桥四核结构，而化合物2具有褶皱的正核结构。磁性研究确实揭示了化合物1的令人沮丧的磁旋转，而Antiferromagne对于化合物2，观察到TiC相互作用。它们的磷酸酶的分光光度分析研究似乎对复合物的显着水解效率揭示了显着的水解效率。 Michaelis-Menten衍生的动力学参数表明，在97.5％DMF中使用磷酸酯（4-硝基苯基）磷酸酯（4-硝基苯基）磷酸盐（4-硝基苯基）磷酸盐（PNPP）的竞争力为1> 2，K（猫）值位于28.95 -38.43s（-1）在298k.计算计算验证了归因于附着于金属中心的大量不稳定基团的化合物1的催化活性。

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