含氢化合物晶体的组成、结构和性质的规律关系

I. P. Makarova, E. Selezneva, A. Tolstikhina, R. Gainutdinov
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摘要

研究课题。超质子族含氢化合物晶体。目的。了解材料的组成、原子结构、实际结构和物理性质之间的规律关系,目的是阐明凝聚态发生的过程,为改造已知化合物或获得新化合物奠定基础。材料和方法。实验数据是通过一套互补的物理方法获得的,包括利用 X 射线、同步辐射和中子进行结构分析,光学显微镜和原子力显微镜。结果。获得了超质子晶体的原子结构、实际结构和物理性质的实验数据,包括氢键系统及其变化。结论。超质子晶体的物理性质受到氢键体系及其变化的显著影响,主要是氢原子能量等价位置形成动态无序氢键。在对晶体样品进行诊断时,应考虑其实际结构,包括表层结构和结晶水的存在。这些因素可能会影响测量的物理参数、相的存在边界、温度变化下多相状态的形成。
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Regular relations of the composition, structure and properties of crystals of hydrogen-containing compounds
Research subject. Crystals of hydrogen-containing compounds belonging to the superprotonic family. Aim. To obtain knowledge about regular relations between composition, atomic structure, real structure and physical properties of materials, with the purpose of elucidating processes occurring in condensed state and forming the basis for modification of known or obtaining new compounds. Materials and methods. Experimental data were obtained using a set of complementary physical methods, including structural analysis using X-rays, synchrotron radiation and neutrons, optical microscopy, and atomic force microscopy. Results. Experimental data on the atomic structure, real structure, and physical properties of superprotonic crystals, including systems of hydrogen bonds and their changes, were obtained. Conclusions. The physical properties of superprotonic crystals are significantly affected by hydrogen bonding systems and their changes, primarily by the formation of dynamically disordered hydrogen bonds with energetically equivalent positions of hydrogen atoms. When carrying out diagnostics of crystalline samples, account should be taken of their real structure, including the structure of surface layers and the presence of crystallization water. These factors may affect the measured physical parameters, the boundaries of existence of phases, the formation of a multiphase state under variations in temperature.
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