层状n-烷基羧酸-联吡啶共晶的各向异性热膨胀效应

IF 2.1 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Supramolecular Chemistry Pub Date : 2021-10-03 DOI:10.1080/10610278.2022.2117623

Amy V. Hall, D. Yufit, Yingfeng Zhang, O. Musa, J. Steed

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引用次数: 0

摘要

丁酸(BA)、戊酸(PA)和二十烷酸(EA)与4,4′-偶氮吡啶(azp)和反式-1,2-二(4-吡啶基)乙烯(bpe)共结晶得到2:1的片层状共晶。所有共晶均显示OH···Npyridyl七元环超分子合成，但每种共晶在加热时的反应不同。BA共晶由于π··π堆积，沿c轴发生正热膨胀(PTE)，而PA共晶则由于与共晶长度不匹配，呈现反和扭相混合的酸链构象。PA2·azp表现为C··O内氢键的负热膨胀(NTE)。由于烷基链之间的距离扩大，两个EA共晶在升温时均表现出c轴伸长。EA2·azp中c轴扩展幅度大于1 Å具有高度的各向异性，而EA2·bpe中c轴扩展幅度要小得多。图形抽象

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Anisotropic thermal expansion effects in layered n-Alkyl carboxylic acid – bipyridyl cocrystals

ABSTRACT Cocrystallisation of butanoic acid (BA), pentanoic acid (PA), and eicosanoic acid (EA) with 4,4’-azopyridine (azp) and trans-1,2-bis(4-pyridyl)ethylene (bpe) results in 2:1 lamellar cocrystals. All cocrystals display the OH···Npyridyl seven-membered ring supramolecular synthon however, each cocrystal responds differently upon heating. Positive thermal expansion (PTE) occurs along the c-axis due to π···π stacking in the isostructural BA cocrystals, while the PA cocrystals are not isostructural and display a mixture of anti and gauche conformations of the acid chains because of the length mismatch with the coformer. PA2·azp displays negative thermal expansion (NTE) of the intrasynthon C···O hydrogen bond. The two EA cocrystals both display c-axis elongation on warming due to the expansion of the distance between the alkyl chains. The expansion by more than 1 Å in EA2·azp is highly anisotropic, however, there is much less c-axis expansion in EA2·bpe. Graphical Abstract

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来源期刊

Supramolecular Chemistry 化学-化学综合

CiteScore

3.60

自引率

3.00%

发文量

审稿时长

2.7 months

期刊介绍： Supramolecular Chemistry welcomes manuscripts from the fields and sub-disciplines related to supramolecular chemistry and non-covalent interactions. From host-guest chemistry, self-assembly and systems chemistry, through materials chemistry and biochemical systems, we interpret supramolecular chemistry in the broadest possible sense. Interdisciplinary manuscripts are particularly encouraged. Manuscript types include: high priority communications; full papers; reviews, and; Methods papers, techniques tutorials highlighting procedures and technologies that are important to the field. We aim to publish papers in a timely fashion and as soon as a paper has been accepted and typeset it will be published in electronic form on the Latest articles section of the website. The two most important review criteria are that the paper presents high-quality work that fits generally into the broad spectrum of activities in the supramolecular chemistry field. Under normal circumstances, Supramolecular Chemistry does not consider manuscripts that would be more suitable in a highly specialized journal. This includes, but is not limited to, those based mostly or exclusively on topics such as solid state/X-ray structures, computational chemistry, or electrochemistry. . The two most important review criteria are that the paper presents high-quality work that fits generally into the broad spectrum of activities in the supramolecular chemistry field.