From Oligo(Phenyleneethynylene) Monomers to Supramolecular Helices: The Role of Intermolecular Interactions in Aggregation

From Oligo(Phenyleneethynylene) Monomers to Supramolecular Helices: The Role of Intermolecular Interactions in Aggregation

Supramolecular helices that arise from the self-assembly of small organic molecules via non-covalent interactions play an important role in the structure and properties of the corresponding materials. Here we study the supramolecular helical aggregation of oligo(phenyleneethynylene) monomers from a...

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Bibliographic Details
Main Authors: Berta Fernández, Zulema Fernández, Emilio Quiñoá, Félix Freire
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Molecules
Subjects:
oligo(phenyleneethynylene)
monomer aggregation
supramolecular helices
density functional theory and time-dependent density functional theory calculations
geometry optimizations
absorption spectra
Online Access:https://www.mdpi.com/1420-3049/26/12/3530

Internet

https://www.mdpi.com/1420-3049/26/12/3530

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