Crystal structures and phase transitions in two new hybrid crystals: (Me_(3)NCH_(2)CH_(2)X)_(4)[Ni(NCS)_6](X=Cl and Br)  

作　　者：De-Xuan Liu Zhi-Hong Yu Xiao-Xian Chen Wei-Xiong Zhang Xiao-Ming Chen 

机构地区：[1]MOE Key Laboratory of Bioinorganic and Synthetic Chemistry,School of Chemistry,Sun Yat-sen University,Guangzhou 510275,China

出　　处：《Chinese Chemical Letters》2023年第3期486-489,共4页中国化学快报（英文版）

基　　金：supported by the National Natural Science Foundation of China(NSFC,Nos.22071273 and 21821003);Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program(No.2017BT01C161)。

摘　　要：Understanding phase transitions in multi-component crystals is of importance for regulating specified functional materials.Herein,we present two new organic-inorganic hybrid crystals,(Me_(3)NCH_(2)CH_(2)X)_(4)[Ni(NCS)_6](X=Cl and Br),revealing distinct phase transitions.Specifically,the Clsubstituted cations weakly interact with discrete inorganic part hence reveal step-wise dynamic changes upon heating,which result in multi-step solid-solid phase transitions (P1-P2_1/n-A2/a-Cmce) including a ferroelastic one with a spontaneous strain of 0.0475.Whereas the Br-substituted cations with larger steric effect prevent the solid-solid phase transition but give a solid-liquid phase transition at above 419 K.The present instances well demonstrate the complicity for multi-component crystals arising from the delicate balance established by abundant weak intermolecular interactions,and inspire the design of novel phase-transition materials by judiciously assembling multi-component crystals.

关 键 词：Hybrid crystal Phase transition FERROELASTICITY Intermolecular interaction Hirshfeld surface analysis 

分 类 号：TB34[一般工业技术—材料科学与工程] O76[理学—晶体学]