Twisted Aromatic Frameworks: Readily Exfoliable and Solution‐Processable Two‐Dimensional Conjugated Microporous Polymers

Abstract

Twisted two‐dimensional aromatic frameworks have been prepared by overcrowding the nodes with bulky and rigid substituents. The highly distorted aromatic framework with alternating out‐of‐plane substituents results in diminished interlayer interactions that favor the exfoliation and dispersion of individual layers in organic media.

Clar Rules the Electronic Properties of 2D π‐Conjugated Frameworks: Mind the Gap

“…[11][12][13][14] In contrast, chemically based bottom-up approaches have been able to reach considerably smaller pores. [15][16][17][18][19] Holey graphenes present aw ide range of potential technological applicationsr anging from sensing and nanoelectronics to energy andg as storage. [12,16,[20][21][22][23] The materials studied here, structurally converge with the latticeso fc onjugated microporous polymers and conjugated covalent organic frameworks.…”

“…[12,16,[20][21][22][23] The materials studied here, structurally converge with the latticeso fc onjugated microporous polymers and conjugated covalent organic frameworks. [15][16][17][18][19] These systems, in contrastw ith most holey graphenes, are chemically accessible,y et their properties depend on different factors such as molecular weightd istributions,c rystallinity and purity,which are difficult to control. [19,24] Alternatively, we present as ystematic study of aw hole familyo fp-conjugated 2D materials with ah igh accuracyi ns ilico procedure.…”

“…[15][16][17][18][19] These systems, in contrastw ith most holey graphenes, are chemically accessible,y et their properties depend on different factors such as molecular weightd istributions,c rystallinity and purity,which are difficult to control. [19,24] Alternatively, we present as ystematic study of aw hole familyo fp-conjugated 2D materials with ah igh accuracyi ns ilico procedure. The predicted electronic properties should be useful to target specific structures instead of relying on structure-property relationship mappings, which are difficultt oa ccess experimentally.…”

“…The B3LYP functional was chosen as it has been already used to model several acenes and other 2D p-conjugated polymers [32,33] and yields good estimations of bandgaps and reduction potentials for several related molecules of different sizes. [19,34] Finite models were used for all molecules in this study,w hereas periodic models were used for the 2D systems. Calculations were performed with the Fritz Haber Institute ab initio molecular simulations (FHI-aims) package.…”

Facile Preparation of Micro/Mesoporous Conjugated Polymers for Multifunctional Sensing and Separation Applications

“…They could act as light‐sensitive materials. CMPs have porous structure; they could separation and adsorption for gases as well. Besides, the long π bonds render the CMPs electronic conductivity.…”