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首页> 外文期刊>Chemistry: A European journal >Thermally Triggered Solid-State Single-Crystal-to-Single-Crystal Structural Transformation Accompanies Property Changes
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Thermally Triggered Solid-State Single-Crystal-to-Single-Crystal Structural Transformation Accompanies Property Changes

机译：热触发固态单晶至单晶结构转变伴随性能变化

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摘要

The 1D complex [(CuL0.5H2O)H2O](n) (1) (H4L=2,2-bipyridine-3,3,6,6-tetracarboxylic acid) undergoes an irreversible thermally triggered single-crystal-to-single-crystal (SCSC) transformation to produce the 3D anhydrous complex [CuL0.5](n) (2). This SCSC structural transformation was confirmed by single-crystal X-ray diffraction analysis, thermogravimetric (TG) analysis, powder X-ray diffraction (PXRD) patterns, variable-temperature powder X-ray diffraction (VT-PXRD) patterns, and IR spectroscopy. Structural analyses reveal that in complex 2, though the initial 1D chain is still retained as in complex 1, accompanied with the Cu-bound H2O removed and new O(carboxyl)Cu bond forming, the coordination geometries around the Cu-II ions vary from a distorted trigonal bipyramid to a distorted square pyramid. With the drastic structural transition, significant property changes are observed. Magnetic analyses show prominent changes from antiferromagnetism to weak ferromagnetism due to the new formed Cu1-O-C-O-Cu4 bridge. The catalytic results demonstrate that, even though both solid-state materials present high catalytic activity for the synthesis of 2-imidazolines derivatives and can be reused, the activation temperature of complex 1 is higher than that of complex 2. In addition, a possible pathway for the SCSC structural transformations is proposed.
机译：一维复合物[（CuL0.5H2O）H2O]（n）（1）（H4L = 2,2-联吡啶-3,3,6,6-四羧酸）经历不可逆的热触发单晶至单晶晶体（SCSC）转化生成3D无水配合物[CuL0.5]（n）（2）。通过单晶X射线衍射分析，热重（TG）分析，粉末X射线衍射（PXRD）图，变温粉末X射线衍射（VT-PXRD）图和IR光谱证实了SCSC的结构转变。结构分析表明，在配合物2中，尽管最初的1D链仍然像在配合物1中一样保留，同时除去了与铜结合的H2O和形成了新的O（羧基）Cu键，但Cu-II离子周围的配位几何结构与扭曲的三角锥到扭曲的方形金字塔。随着剧烈的结构转变，观察到显着的性质变化。磁性分析表明，由于新形成的Cu1-O-C-O-Cu4桥，从反铁磁性到弱铁磁性的显着变化。催化结果表明，即使两种固态材料都具有很高的催化活性，可以合成2-咪唑啉衍生物，但配合物1的活化温度高于配合物2的活化温度。另外，可能的途径建议用于SCSC的结构转换。

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