Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis­(4′-pyridyl)­ethane cocrystals

IF 2.9 2区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY
IUCrJ Pub Date : 2025-01-01 DOI:10.1107/S2052252524011734
Ewa Patyk-Kaźmierczak , Kornelia Szymańska , Michał Kaźmierczak
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Abstract

The negative linear compressibility and negative thermal expansion behaviours of two isostructural 1:1 cocrystals of 1,2-bis­(4′-pyridyl)­ethane with fumaric and succinic acids were revealed and compared, showing surprisingly strong ramifications of a small steric hindrance on the magnitude of both effects.
Multicomponent crystals have great scientific potential because of their amenability to crystal engineering in terms of composition and structure, and hence their properties can be easily modified. More and more research areas are employing the design of multicomponent materials to improve the known or induce novel physicochemical properties of crystals, and recently they have been explored as materials with abnormal pressure behaviour. The cocrystal of 1,2-bis­(4′-pyridyl)­ethane and fumaric acid (ETYFUM) exhibits a negative linear compressibility behaviour comparable to that of framework and metal-containing materials, but overcomes many of their deficiencies restricting their use. Herein ETYFUM was investigated at low temperature to reveal negative thermal expansion behaviour. Additionally, a cocrystal isostructural with ETYFUM, based on 1,2-bis­(4′-pyridyl)­ethane and succinic acid (ETYSUC), was exposed to high pressure and low temperature, showing that its behaviour is similar in nature to that of ETYFUM, but significantly differs in the magnitude of both effects. It was revealed that the minor structural difference between the acid molecules does not significantly affect the packing under ambient conditions, but has far-reaching consequences when it comes to the deformation of the structure when exposed to external stimuli.
通过位阻控制负线性压缩性和热膨胀:1,2-二(4'-吡啶基)乙烷共晶的案例研究。
多组分晶体具有很大的科学潜力,因为它们在组成和结构方面易于进行晶体工程,因此它们的性质可以很容易地改变。越来越多的研究领域正在采用多组分材料的设计来改善已知的或诱导新的晶体物理化学性质,最近它们被探索为具有异常压力行为的材料。1,2-双(4′-吡啶基)乙烷和富马酸(ETYFUM)共晶表现出与框架和含金属材料相当的负线性压缩行为,但克服了许多限制其使用的缺陷。本文研究了ETYFUM在低温下的负热膨胀行为。此外,以1,2-双(4′-吡啶基)乙烷和琥珀酸(ETYSUC)为基料的ETYFUM共晶同工结构在高压和低温下暴露,表明其行为在性质上与ETYFUM相似,但两者的影响程度有显著差异。结果表明,在环境条件下,酸分子之间的微小结构差异对包装没有显着影响,但当暴露于外部刺激时,其结构变形会产生深远的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
IUCrJ
IUCrJ CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY
CiteScore
7.50
自引率
5.10%
发文量
95
审稿时长
10 weeks
期刊介绍: IUCrJ is a new fully open-access peer-reviewed journal from the International Union of Crystallography (IUCr). The journal will publish high-profile articles on all aspects of the sciences and technologies supported by the IUCr via its commissions, including emerging fields where structural results underpin the science reported in the article. Our aim is to make IUCrJ the natural home for high-quality structural science results. Chemists, biologists, physicists and material scientists will be actively encouraged to report their structural studies in IUCrJ.
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