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Mechanical Flexibility of Molecular Crystals Achieved by Exchanging Hydrogen Bonding Synthons
Crystal Growth & Design ( IF 3.8 ) Pub Date : 2020-03-03 , DOI: 10.1021/acs.cgd.9b01530
Poonam Gupta 1 , Sumair A. Rather 2 , Binoy K. Saha 2 , Tamas Panda 3, 4 , Durga Prasad Karothu 3 , Naba K. Nath 1
Affiliation  

Tuning the mechanical properties of crystalline materials is alluring and has captivated the interest of material scientists. Here, we have demonstrated a crystal engineering approach to introduce mechanical flexibility in molecular crystals by exchanging hydrogen bonding synthons. Earlier reports suggested that the molecular crystals of probenecid are plastically deformable due to the presence of a n-propyl chain mediated slip system. This structural feature inspired us to investigate the mechanical property of the molecular crystals of the corresponding carboxamide and acid hydrazide derivatives. When a mechanical force is applied, crystals of probenecid hydrazide deform irreversibly; however, crystals of probenecid amide break. The mechanical flexibility and brittleness displayed by the crystals of probenecid hydrazide and probenecid amide are attributed to the arrangement of the n-propyl chains in the crystal structures of these compounds. The topology of the energy framework in the crystal structures of acid and hydrazide illustrated the presence of anisotropic intermolecular interactions.

中文翻译:

交换氢键合成子获得的分子晶体的机械柔韧性

调整晶体材料的机械性能很诱人,并且吸引了材料科学家的兴趣。在这里,我们展示了一种通过交换氢键合成子在分子晶体中引入机械柔韧性的晶体工程方法。较早的报道表明,由于存在n,丙磺舒的分子晶体可塑性变形。丙基链介导的滑移系统。这种结构特征激发我们研究相应的羧酰胺和酰肼衍生物的分子晶体的机械性能。当施加机械力时,丙磺舒的结晶会发生不可逆的变形。但是,丙磺舒酰胺晶体破裂。机械柔性和脆性显示由丙磺舒酰肼和丙磺舒酰胺的晶体归因于的布置Ñ在这些化合物的晶体结构-丙基链。酸和酰肼晶体结构中能量构架的拓扑结构说明了各向异性分子间相互作用的存在。
更新日期:2020-03-03
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