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자연과학대학
화학·나노과학전공
Journal papers
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Parsimonious Topology Based on Frank-Kasper Polyhedra in Metal-Organic Frameworks
Title
Parsimonious Topology Based on Frank-Kasper Polyhedra in Metal-Organic Frameworks
Authors
Lee
;
Soochan
;
Sungmin
;
Kwak
;
Yuna
;
Yousaf
;
Masood
;
Cho
;
Eunchan
;
Moon
;
Hoi Ri
;
Sung June
;
Park
;
Noejung
;
Choe
;
Wonyoung
Ewha Authors
문회리
SCOPUS Author ID
문회리
Issue Date
2024
Journal Title
JACS Au
ISSN
2691-3704
Citation
JACS Au vol. 4, no. 7, pp. 2539 - 2546
Keywords
Frank-Kasper phases
;
metal−organic frameworks
;
polyhedra
;
self-assembly
;
topology
Indexed
SCOPUS
Document Type
Article
Abstract
A new topology previously unknown in metal-organic frameworks (MOFs) provides an important clue to uncovering a new series of polyhedral MOFs. We report a novel MOF crystallized in a parsimonious mep topology based on Frank-Kasper (FK) polyhedra. The distribution of angles in a tetrahedral arrangement (T-O-T) is crucial for the formation of FK polyhedra in mep topology. This finding led us to investigate the T-O-T angle distribution in related zeolites and zeolitic imidazolate frameworks (ZIFs). Unlike zeolites, it is extremely difficult to achieve high T-O-T angles in ZIFs, which prevents the formation of some FK topologies. Density functional theory (DFT) total energy calculations support a correlation between T-O-T angles and the feasibility of new tetrahedron-based FK frameworks. This result may lead to innovative ways of accessing new cellular topologies by simple chemical tweaking of T-O-T angles. © 2024 The Authors. Published by American Chemical Society.
DOI
10.1021/jacsau.4c00285
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