- Titel
- Tunable Crystallinity and Electron Conduction in Wavy 2D Conjugated Metal - Organic Frameworks via Halogen Substitution
- Zitierfähige Url:
- https://nbn-resolving.org/urn:nbn:de:bsz:14-qucosa2-980891
- Quellenangabe
- Small
Erscheinungsjahr: 2024
Jahrgang: 20
Heft: 17
ISSN: 1613-6810
E-ISSN: 1613-6829
Artikelnummer: 2306732 - Erstveröffentlichung
- 2023
- Abstract (EN)
- Currently, most reported 2D conjugated metal–organic frameworks (2D c-MOFs) are based on planar polycyclic aromatic hydrocarbons (PAHs) with symmetrical functional groups, limiting the possibility of introducing additional substituents to fine-tune the crystallinity and electrical properties. Herein, a novel class of wavy 2D c-MOFs with highly substituted, core-twisted hexahydroxy-hexa-cata-benzocoronenes (HH-cHBCs) as ligands is reported. By tailoring the substitution of the c-HBC ligands with electron-withdrawing groups (EWGs), such as fluorine, chlorine, and bromine, it is demonstrated that the crystallinity and electrical conductivity at the molecular level can be tuned. The theoretical calculations demonstrate that F-substitution leads to a more reversible coordination bonding between HH-cHBCs and copper metal center, due to smaller atomic size and stronger electron-withdrawing effect. As a result, the achieved F-substituted 2D c-MOF exhibits superior crystallinity, comprising ribbon-like single crystals up to tens of micrometers in length. Moreover, the F-substituted 2D c-MOF displays higher electrical conductivity (two orders of magnitude) and higher charge carrier mobility (almost three times) than the Cl-substituted one. This work provides a new molecular design strategy for the development of wavy 2D c-MOFs and opens a new route for tailoring the coordination reversibility by ligand substitution toward increased crystallinity and superior electric conductivity.
- Andere Ausgabe
- Link zum Artikel, der zuerst in der Zeitschrift „Small” im Verlag Wiley-VCH erschienen ist.
DOI: 10.1002/smll.202306732 - Freie Schlagwörter (EN)
- 2D conjugated MOFs, conductive MOFs, halogen substitution, tunable crystallinity, wavy structure
- Klassifikation (DDC)
- 570
- 620
- Verlag
- Wiley-VCH, Weinheim
- Förder- / Projektangaben
- European Commission (EC)
Horizon 2020
Development of Functional Conjugated Two-Dimensional Metal-Organic Frameworks
(FC2DMOF)
ID: 852909 - Deutsche Forschungsgemeinschaft (DFG)
SFB 1415: Chemie der synthetischen zweidimensionalen Materialien
ID: 417590517 - Deutsche Forschungsgemeinschaft (DFG)
Planar Carbon Lattices
(GRK 2861)
ID: 491865171 - Version / Begutachtungsstatus
- publizierte Version / Verlagsversion
- URN Qucosa
- urn:nbn:de:bsz:14-qucosa2-980891
- Veröffentlichungsdatum Qucosa
- 07.08.2025
- Dokumenttyp
- Artikel
- Sprache des Dokumentes
- Englisch
- Lizenz / Rechtehinweis
CC BY-NC 4.0