Azacalixphyrin nanostructures
نویسندگان
چکیده
Azacalixphyrins are used as building blocks to elaborate nanostructures with different shapes depending on the nature of N-substituents. In this work, formation nanoribbons from N-alkyl azacalixphyrin 4, and nanodonuts N-aryl analogue 5, is presented rationalized by molecular dynamics (MD) simulations. Indeed, MD revealed modes intermolecular interactions (defines nodes-and-trails nodes-and-thorns models) according Nanoribbons based 4 results stackings cores along vertical direction generate nodes, while van der Waals between N-C 8 H[Formula: see text] aliphatic chains trails among nodes ribbon. On other hand, 5 self-assemblies into a nanodonut shape, in which macrocyclic (nodes) stack horizontal plane 3,4,5-trimethoxyphenyl groups (thorns) point towards solvent where they establish network [Formula: text]-[Formula: their aromatic portions H-bond CH 3 O-groups molecules, respectively.
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ژورنال
عنوان ژورنال: Journal of Porphyrins and Phthalocyanines
سال: 2023
ISSN: ['1099-1409', '1088-4246']
DOI: https://doi.org/10.1142/s1088424623500785