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首页> 外文期刊>Crystal growth & design >Hydrogen-Bonded Displacive-Type Ferroelastic Phase Transition in a New Entangled Supramolecular Compound
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Hydrogen-Bonded Displacive-Type Ferroelastic Phase Transition in a New Entangled Supramolecular Compound

机译：新型纠缠的超分子化合物中的氢键置换型铁弹性相变

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摘要

The framework entanglements show structural transitions by the removal and incorporation of guest molecules, but rarely generate phase transitions by themselves. In this study, we report a new entangled hydrogen-bonded supramolecular compound, [(n-C4H9)(2)NH2]2H(2)C(4)O(4 center dot)H(4)C(4)O(4) (1, H4C4O4 = fumaric acid), which undergoes a reversible ferroelastic phase transition with the Aizu notation of 2/mF (1) over bar. Differential scanning calorimetry and specific heat measurements confirm its typical second-order phase transition at around 228.8 K (Tc), while the results of the deuterated analogue (2) are different with those of 1, indicating that proton dynamic motions in hydrogen bonds contribute to the phase transition. Variable-temperature single-crystal X-ray diffraction analyses reveal that the cooperative displacements of hydrogen bonds induce the structural phase transition, which arise from the twisting motions of the fumaric acid molecules. Simultaneously, two types of independent hydrogen bonding layers in the entanglement are altered in response to the transformation of hydrogen bonds aggregates at the low temperature phase, causing the symmetry breaking. These findings will open up a new avenue for the design of ferroic materials with an entangled framework.
机译：框架缠结通过去除和掺入客体分子显示出结构转变，但是很少自己产生相变。在这项研究中，我们报告了一个新的纠缠的氢键超分子化合物，[（n-C4H9）（2）NH2] 2H（2）C（4）O（4中心点）H（4）C（4）O（ 4）（1，H4C4O4 =富马酸），它经历可逆的铁弹性相变，在柱上以Aizu表示为2 / mF（1）。差示扫描量热法和比热测量结果证实了其典型的二阶相变约为228.8 K（Tc），而氘代类似物（2）的结果与1的结果不同，表明氢键中的质子动态运动有助于相变。可变温度的单晶X射线衍射分析表明，氢键的协同位移引起结构相变，这是由富马酸分子的扭曲运动引起的。同时，响应于低温相中氢键聚集体的转变，缠结中的两种类型的独立氢键层发生改变，从而导致对称性破坏。这些发现将为纠缠框架下铁材料的设计开辟一条新途径。

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