<br>巧妙地调节杂化晶体中的分子间氢键以实现超高温分子铁弹性,Chemical Science

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巧妙地调节杂化晶体中的分子间氢键以实现超高温分子铁弹性
Chemical Science ( IF 7.6 ) Pub Date : 2022-11-08 , DOI: 10.1039/d2sc04112j
Hui Ye ₁ , Xiao-Xian Chen ₁ , De-Xuan Liu ₁ , Bing-Qing Zhao ₁ , Yao-Bin Li ₁ , Ying Zeng ₁ , Wei-Xiong Zhang ₁ , Xiao-Ming Chen ₁

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过去几十年来，基于分子的铁性相变材料因其作为传感器、开关和存储器的巨大潜力而引起了越来越多的关注。分子铁材料开发的长期挑战之一是确定如何提高铁铁相变温度（ T _c ）。在此，我们提出了两种新型六方分子钙钛矿，(去甲托品)[CdCl ₃ ] ( 1 )和(去甲托品)[CdCl ₃ ] ( 2 )，以演示获得超高T _c铁弹性相变的简单设计原理。它们由相同的主体无机链组成，但客体有机阳离子略有不同，分别在1和2中具有刚性羰基和柔性羟基。由于涉及羰基的氢键较强，但分解温度相对较低（ T _d ，480 K）， 1在分解前不会表现出结晶相变。羟基通过减少吸引氢键但增加相邻有机阳离子之间的排斥相互作用，巧妙地改变了2中分子间相互作用的平衡，最终赋予2增强的热稳定性（ T _d = 570 K）和三个结构相变，包括分别在 463 K 和 495 K 超高T _c值下的两个铁弹性相变。这一发现为明智地调整杂化晶体中的分子间相互作用以开发高T _c铁质材料提供了重要线索。

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Subtly tuning intermolecular hydrogen bonds in hybrid crystals to achieve ultrahigh-temperature molecular ferroelastic

Molecular-based ferroic phase-transition materials have attracted increasing attention in the past decades due to their promising potential as sensors, switches, and memory. One of the long-term challenges in the development of molecular-based ferroic materials is determining how to promote the ferroic phase-transition temperature (T_c). Herein, we present two new hexagonal molecular perovskites, (nortropinonium)[CdCl₃] (1) and (nortropinium)[CdCl₃] (2), to demonstrate a simple design principle for obtaining ultrahigh-T_c ferroelastic phase transitions. They consist of same host inorganic chains but subtly different guest organic cations featuring a rigid carbonyl and a flexible hydroxyl group in 1 and 2, respectively. With stronger hydrogen bonds involving the carbonyl but a relatively lower decomposition temperature (T_d, 480 K), 1 does not exhibit a crystalline phase transition before its decomposition. The hydroxyl group subtly changes the balance of intermolecular interactions in 2 via reducing the attractive hydrogen bonds but increasing the repulsive interactions between adjacent organic cations, which finally endows 2 with an enhanced thermal stability (T_d = 570 K) and three structural phase transitions, including two ferroelastic phase transitions at ultrahigh T_c values of 463 K and 495 K, respectively. This finding provides important clues to judiciously tuning the intermolecular interactions in hybrid crystals for developing high-T_c ferroic materials.

更新日期：2022-11-08

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