Molecular Pedal Motion Influences Thermal Expansion Properties within Isostructural Hydrogen-Bonded Co-crystals,Crystal Growth & Design

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Molecular Pedal Motion Influences Thermal Expansion Properties within Isostructural Hydrogen-Bonded Co-crystals
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-01-09 00:00:00 , DOI: 10.1021/acs.cgd.7b01386
Kristin M. Hutchins ₁ , Daniel K. Unruh ₁ , Frank A. Verdu ₂ , Ryan H. Groeneman ₂

Affiliation

The influence of molecular pedal motion on the thermal expansion properties of three isostructural hydrogen-bonded co-crystals based upon resorcinol is reported. The resulting co-crystals all exhibit discrete four-component assemblies held together by O–H···N hydrogen bonds and comprise resorcinol (res) with a series of isosteric bipyridines, namely, 4,4′-azopyridine (4,4′-AP), trans-1,2-bis(4-pyridyl)ethylene (4,4′-BPE), and 1,2-bis(4-pyridyl)acetylene (4,4′-BPA). The ability to change the core of the hydrogen bond acceptor molecules from an azo (N═N) to an ethylene (C═C) and finally an acetylene (C≡C) group affords co-crystals that differ in their tendency to undergo dynamic pedal motion in the organic solid state. All three co-crystals, 2(res)•2(4,4′-AP), 2(res)•2(4,4′-BPE), and 2(res)•2(4,4′-BPA), exhibit thermal expansions that correlate with the strength of the noncovalent interactions, as well as the propensity of the core to undergo pedal motion.

中文翻译：

分子踏板运动影响同构氢键合共晶体内的热膨胀性能

报道了分子踏板运动对基于间苯二酚的三个同构氢键合共晶体的热膨胀性能的影响。所得共晶体均表现出通过O–H···N氢键连接在一起的离散四组分组装体，并包含间苯二酚（res）和一系列等规联吡啶，即4,4'-偶氮吡啶（4,4' -AP），反式-1,2-双（4-吡啶基）乙烯（4,4'-BPE）和1,2-双（4-吡啶基）乙炔（4,4'-BPA）。将氢键受体分子的核心从偶氮（N═N）转变为亚乙基（C═C）并最终转变为乙炔（C≡C）的能力提供了共晶，它们的动态经历趋势不同踏板运动处于有机固态。所有三个共晶体2（res）•2（4,4'-AP），2（res）•2（4,4'-BPE）和2（res）•2（4,4'-BPA））的热膨胀与非共价相互作用的强度以及核心承受踏板运动的倾向有关。

更新日期：2018-01-09

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