How Halogenation Impacts the Polymer Backbone Conformation: Learning from Combination of Solid‐State MAS NMR and X‐Ray Scattering. (8th July 2022)

• Record Type: Journal Article
• Authors: Olla, Théodore; Jabbour, Ribal; Labiod, Amina; Boyron, Olivier; Méry, Stéphane; Heinrich, Benoît; Heiser, Thomas; Jacquemin, Denis; Lévêque, Patrick; Lesage, Anne; Leclerc, Nicolas
• Is Part Of: Advanced functional materials. Volume 32:Number 38(2022)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2022-07-08
• Subjects: halogenated semiconducting polymers -- polymer chain conformations -- solid‐state MAS NMR -- weak bonds locking; Materials -- Periodicals; Chemical vapor deposition -- Periodicals; 620.11
• DOI: 10.1002/adfm.202204929
• Languages: English
• ISSNs: 1616-301X

Abstract

Abstract: Over the past decade, halogenated semiconducting polymers have attracted considerable interest due to their outstanding optoelectronic properties. Thus, in most of today's organic photovoltaic devices benchmark organic semiconductors are halogenated materials, either electron donor polymers or non‐fullerene acceptor (NFA) small molecules. However, the nature and position of the substituted halogen atoms in halogenated semiconducting polymers impact, through self‐assembly modification, their optoelectronic properties in a way that is difficult to predict. Yet, the solid‐state self‐assembling of these materials has been shown to be a key parameter toward high charge transport properties and photovoltaic efficiencies. In this context, there is still a need to develop analytical methods that will enable an atomic‐scale structural characterization of these materials as a function of the halogenation. In this study, the solid‐state nuclear magnetic resonance (NMR) under magic angle spinning (MAS) is explored as a tool to investigate the local structure and supramolecular organization of a series of conjugated polymers, specially designed for this study. Through a comprehensive study using complementary techniques, including MAS–NMR, small and wide‐angle X‐ray scattering, and molecular modeling investigations, the molecular conformation of these polymers in relation to their chemical composition, is successfully determined. Abstract : Solid‐state nuclear magnetic resonance under magic angle spinning is used to investigate the local structure and supramolecular organization of conjugated polymers, specially designed for this study. Through a comprehensive study using complementary small and wide‐angle X‐ray scattering and molecular modelling investigations, the molecular conformation of these polymers in relation to their chemical composition is fully determined.