Molecular Ferroelastic Induced by Mono-/Double-Protonation Strategy  

作　　者：Jia-Qi Luo Meng-Meng Lun Qiang-Qiang Jia Zhi-Jie Wang Hai-Feng Lu Yi Zhang Da-Wei Fu 

机构地区：[1]Institute for Science and Applications of Molecular Ferroelectrics,Key Laboratory of the Ministry of Education for Advanced Catalysis Materials,Zhejiang Normal University,Jinhua,Zhejiang 321004,China [2]Ordered Matter Science Research Center,Jiangsu Key Laboratory for Science and Applications of Molecular Ferroelectrics,Southeast University,Nanjing,Jiangsu 211189,China

出　　处：《Chinese Journal of Chemistry》2024年第15期1706-1712,共7页中国化学（英文版）

基　　金：financially supported by Southeast University and the National Natural Science Foundation of China(Grant Nos.21991141 and 22371258).

摘　　要：Molecular ferroelastics with the natural features of mechanical flexibility and switchable spontaneous strain have attracted widespread attention in the scientific community due to their potential applications in tunable gratings,flexible memorizers,strain sensors,and intelligent actuators.However,most designs of molecular ferroelastics remain in the stage of blind exploration,posing a challenge to achieve a functional ferroelastic more effectively.Herein,we have successfully obtained a molecular ferroelastic,[Me_(2)NH(CH_(2))_(2)NH_(3)](ReO_(4))_(2)(Me_(2)NH(CH_(2))_(2)NH_(3)=N,N-dimethylethylenediammonium),under the guidance of the mono-/double-protonation strategy.The_double-protonated[Me_(2)NH(CH_(2))_(2)NH_(3)](ReO_(4))_(2) undergoes a paraelastic-ferroelastic phase transition with the Aizu notation of 2/mFi at 322 K.Meanwhile,the theoretical calculation and experimental measurement simultaneously show that[Me_(2)NH(CH_(2))_(2)NH_(3)](ReO_(4))_(2) possesses good mechanical flexibility,because its elastic modulus(E)of 8.26 GPa and hardness(H)of 0.45 GPa are smaller than the average values of organic crystals(E of 12.05 GPa and H of 0.5 GPa),which makes it promising to apply in wearable pressure sensors,implantable medical sensors,high-precision tuners,etc.This work further enriches the molecular ferroelastic family and demonstrates that mono-/double-protonation is one of the effective molecular modification strategies for designing ferroelastics.

关 键 词：Molecular crystal FERROELASTIC Mono-/double-protonation Mechanical flexibility Phase transition Crystal engineering Computational chemistry Molecular dynamics 

分 类 号：O62[理学—有机化学]