化学
相变
分子间力
结晶学
烷基
晶体结构
相(物质)
Crystal(编程语言)
空间组
立体化学
X射线晶体学
衍射
有机化学
分子
热力学
光学
物理
计算机科学
程序设计语言
作者
De-Xuan Liu,Wei-Xiong Zhang,Xiaoming Chen
标识
DOI:10.1002/ejic.202300004
摘要
Understanding the microscopic origin of phase transitions in hybrid crystals is of significant important but challenging for designing novel phase-transition materials. Here, three new hybrid crystals, (Me3NR)4[Ni(NCS)6] (R=ethyl for 1, propyl for 2, and butyl for 3) were synthesized and comprehensively studied on their crystal structures, intermolecular interactions, and phase transitions. They possess a same anti-XeF4 structure mode but exhibit different phase transitions arising from their subtly changed alkyl groups. Specifically, 1 undergoes four-step P21/c-P21/c-P21/c-Pbca-Cmce crystalline transitions at 165, 203, 244, and 280 K, respectively; 2 undergoes three-step P212121-Pbca-P21/n-P 1c crystalline transitions at 167, 393, and 410 K, respectively, following by a solid-liquid transition at 453 K; 3 undergoes an iso-space-group P21/n-P21/n crystalline phase transition at 257 K and a solid-liquid transition at 410 K. These instances well demonstrate the key roles of delicate and complicated intermolecular interactions on inducing nontrivial phase transitions in hybrid crystals.
科研通智能强力驱动
Strongly Powered by AbleSci AI