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首页> 外文期刊>Crystal growth & design >High-throughput study of the Cu(CH_3COO)_2· H_2O-5-nitroisophthalic acid-heterocyclic ligand system: Synthesis, structure, magnetic, and heterogeneous catalytic studies of three copper nitroisophthalates
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High-throughput study of the Cu(CH_3COO)_2· H_2O-5-nitroisophthalic acid-heterocyclic ligand system: Synthesis, structure, magnetic, and heterogeneous catalytic studies of three copper nitroisophthalates

机译：Cu（CH_3COO）_2·H_2O-5-硝基间苯二甲酸-杂环配体体系的高通量研究：三种硝基间苯二甲酸铜的合成，结构，磁性和非均相催化研究

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摘要

A high-throughput screening was employed to identify new compounds in Cu(CH_3COO)_2·H_2O-NIPA-heterocyclic ligand systems. Of the compounds identified, three compounds, [Cu_3{(NO _2)-C_6H_3-(COO)_2}_3(C _3N_6H_6)] (I), [Cu_2(μ_3- OH)(H_2O){(NO_2)-C_6H_3-(COO) _2}(CN_4H)]·(H_2O) (II), and [Cu _2(μ_3-OH)(H_2O){(NO_2)-C _6H_3-(COO)_2}(CN_5H_2)] ·2(H_2O) (III), have been isolated as good quality single crystals by employing conventional hydrothermal methods. Three other compounds, Cu_2{(NO_2)-C_6H_3-(COO) _2}(CN_4H)(H_2O) (IIa), Cu_2{(NO _2)-C_6H_3-(COO)_2}(CN_5H _2) (IIIa), and Cu_2{(NO_2)-C_6H _3-(COO)_2}{(CN_5H_2) _2}2H_2O (IIIb), were identified by a combination of elemental analysis, thermogravimetric analysis (TGA), and IR spectroscopic studies, although their structures are yet to be determined. The single crystalline compounds were also characterized by elemental analysis, TGA, IR, UV-vis, magnetic, and catalytic studies. The structures of the compounds have paddle wheel (I) and infinite Cu-O(H)-Cu chains (II and III) connected with NIPA and heterocyclic ligands forming two- (II) and three-dimensional (I and III) structures. The bound and lattice water molecules in II and III could be reversibly removed/inserted without affecting the structure. In the case of II, the removal of water gives rise to a structural transition, but the dehydrated phase reverts back to the original phase on prolonged exposure to atmospheric conditions. Magnetic studies indicate an overall antiferromagnetism in all of the compounds. Lewis acid catalytic studies indicate that compounds II and III are active for cyanosilylation of imines.
机译：采用高通量筛选技术鉴定了Cu（CH_3COO）_2·H_2O-NIPA-杂环配体系统中的新化合物。在确定的化合物中，三种化合物为[Cu_3 {（NO _2）-C_6H_3-（COO）_2} _3（C _3N_6H_6）]（I），[Cu_2（μ_3-OH）（H_2O）{（NO_2）-C_6H_3- （COO）_2}（CN_4H）]·（H_2O）（II）和[Cu _2（μ_3-OH）（H_2O）{（NO_2）-C _6H_3-（COO）_2}（CN_5H_2）]·2（H_2O ）（III），已通过使用常规水热法分离为优质单晶。其他三个化合物Cu_2 {（NO_2）-C_6H_3-（COO）_2}（CN_4H）（H_2O）（IIa），Cu_2 {（NO _2）-C_6H_3-（COO）_2}（CN_5H _2）（IIIa）和Cu_2 {（NO_2）-C_6H _3-（COO）_2} {（CN_5H_2）_2} 2H_2O（IIIb）通过元素分析，热重分析（TGA）和红外光谱研究的组合进行了鉴定，尽管它们的结构尚未确定待定。还通过元素分析，TGA，IR，UV-vis，磁性和催化研究对单晶化合物进行了表征。该化合物的结构具有桨叶（I）和与NIPA连接的无限Cu-O（H）-Cu链（II和III）和形成二维（II）和三维（I和III）结构的杂环配体。 II和III中的结合水和晶格水分子可以可逆地去除/插入而不会影响结构。在II的情况下，水的去除引起结构转变，但是在长时间暴露于大气条件下，脱水相恢复到原始相。磁性研究表明所有化合物均具有整体反铁磁性。路易斯酸的催化研究表明，化合物Ⅱ和Ⅲ对于亚胺的氰基甲硅烷化反应具有活性。

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