The phase stability of the rarely studied diisopropylammonium chloride hemihydrate (DPC-HH) was investigated in a range of temperature from 100 K to 503 K. The single crystals of DPC-HH grown from methanol solution belong to orthorhombic crystal system with space group Ccca at ambient conditions (296 K) and do not show any phase transformation till 100 K upon cooling whereas it is physically less stable when stored at room temperature due to host-guest nature of the diisopropylammonium chloride (DPC) and water in the DPC-HH lattices. While heating above room temperature dehydration of the hydrate molecules occurs which leads to the crystallization of anhydrous DPC in monoclinic crystal system with space group P2₁ at 342 K and further at 439.7 K the DPC undergoes a ferroelectric to paraelectric phase transition through a structural transformation from monoclinic P2₁ to P2₁/m which is reversible. The Hirshfeld surface and fingerprint plots were used to study the intermolecular interactions of DPC-HH. The intermolecular H⋯H contacts was most significant interactions present in the crystal with over 72% of the total Hirshfeld surface. Powder X-ray diffraction, Raman and FT-IR spectroscopy, TGA and DSC techniques were employed to monitor and confirm the phase stability of DPC-HH crystals and ferro-para transformations occur in the DPC crystal system.

在100 K至503 K的温度范围内研究了很少研究的二异丙基氯化铵半水合物（DPC-HH）的相稳定性。从甲醇溶液中生长的DPC-HH单晶属于正交晶系，其空间群为Ccca。环境温度（296 K），直到冷却至100 K时才显示出任何相变，而由于二异丙基氯化铵（DPC）和DPC-HH晶格中水的客体性质，在室温下存储时其物理稳定性较差。当加热到室温以上时，发生水合物分子的脱水，这导致在空间群为P2 _1的单斜晶体系统中无水DPC结晶。在342 K和439.7 K时，DPC通过从单斜P2 ₁到P2 ₁ / m的可逆结构转变经历铁电到顺电相变。使用Hirshfeld表面和指纹图来研究DPC-HH的分子间相互作用。分子间的H⋯H接触是晶体中最重要的相互作用，占整个Hirshfeld表面的72％以上。粉末X射线衍射，拉曼光谱和FT-IR光谱，TGA和DSC技术被用来监测和确认DPC-HH晶体的相稳定性，并且在DPC晶体系统中发生铁对位转变。