High-pressure-induced structural changes in molecular crystals preserving the space group symmetry: anisotropic distortion/isosymmetric polymorphism

Elena V. Boldyreva
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引用次数: 89

Abstract

Pressure-induced structural changes in molecular crystals that are not accompanied by a change in space group symmetry are considered. Anisotropic structural strain of the same polymorph and isosymmetric polymorphic transition are two possibilities which are illustrated in the examples of Co(III)nitropentaammine chloride, the monoclinic and ortho rhombic polymorphs of paracetamol, the α- and γ-polymorphs of glycine, benzoquinone (anisotropic structural strain) and sodium oxalate (isosymmetric polymorphic transition). The experiments described were carried out in diamond anvil cells, and the structural changes were monitored by X-ray powder and single crystal X-ray diffraction, and IR and Raman spectroscopy.

保持空间群对称性的高压诱导分子晶体结构变化:各向异性畸变/等对称多态
考虑了分子晶体中不伴有空间群对称变化的压力引起的结构变化。相同多晶型的各向异性结构应变和等对称多晶型转变是两种可能性,例如Co(III)硝基五胺氯化物、扑热息痛的单斜和正方正多晶型、甘氨酸、苯醌的α-和γ-多晶型(各向异性结构应变)和草酸钠的等对称多晶型转变。所述实验在金刚石砧细胞中进行,并通过x射线粉末和单晶x射线衍射,红外和拉曼光谱监测结构变化。
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