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Total scattering reveals the hidden stacking disorder in a 2D covalent organic framework

Pütz, Alexander M.; Terban, Maxwell W.; Bette, Sebastian; Haase, Frederik 1; Dinnebier, Robert E.; Lotsch, Bettina V.
1 Institut für Funktionelle Grenzflächen (IFG), Karlsruher Institut für Technologie (KIT)


Interactions between extended π-systems are often invoked as the main driving force for stacking and crystallization of 2D organic polymers. In covalent organic frameworks (COFs), the stacking strongly influences properties such as the accessibility of functional sites, pore geometry, and surface states, but the exact nature of the interlayer interactions is mostly elusive. The stacking mode is often identified as eclipsed based on observed high symmetry diffraction patterns. However, as pointed out by various studies, the energetics of eclipsed stacking are not favorable and offset stacking is preferred. This work presents lower and higher apparent symmetry modifications of the imine-linked TTI-COF prepared through high- and low-temperature reactions. Through local structure investigation by pair distribution function analysis and simulations of stacking disorder, we observe random local layer offsets in the low temperature modification. We show that while stacking disorder can be easily overlooked due to the apparent crystallographic symmetry of these materials, total scattering methods can help clarify this information and suggest that defective local structures could be much more prevalent in COFs than previously thought. ... mehr

Verlagsausgabe §
DOI: 10.5445/IR/1000129388
Veröffentlicht am 05.02.2021
DOI: 10.1039/d0sc03048a
Zitationen: 77
Zitationen: 87
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Funktionelle Grenzflächen (IFG)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 12.2020
Sprache Englisch
Identifikator ISSN: 2041-6520, 2041-6539
KITopen-ID: 1000129388
HGF-Programm 43.22.01 (POF III, LK 01) Functionality by Design
Erschienen in Chemical science
Verlag Royal Society of Chemistry (RSC)
Band 11
Heft 47
Seiten 12593–12878
Nachgewiesen in Web of Science
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