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Parsimonious Topology Based on Frank-Kasper Polyhedra in Metal-Organic Frameworks.
Lee, Soochan; Lee, Sungmin; Kwak, Yuna; Yousaf, Masood; Cho, Eunchan; Moon, Hoi Ri; Cho, Sung June; Park, Noejung; Choe, Wonyoung.
Afiliación
  • Lee S; Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan 44919, Republic of Korea.
  • Lee S; Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan 44919, Republic of Korea.
  • Kwak Y; Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan 44919, Republic of Korea.
  • Yousaf M; Center for Multidimensional Carbon Materials, Institute for Basic Science, Ulsan 44919, Republic of Korea.
  • Cho E; Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan 44919, Republic of Korea.
  • Moon HR; Department of Chemistry and Nanoscience, Ewha Womans University, Seoul 03760, Republic of Korea.
  • Cho SJ; Department of Chemical Engineering, Chonnam National University, Gwangju 61186, Republic of Korea.
  • Park N; Center for Multidimensional Carbon Materials, Institute for Basic Science, Ulsan 44919, Republic of Korea.
  • Choe W; Department of Physics, Ulsan National Institute of Science and Technology, Ulsan 44919, Republic of Korea.
JACS Au ; 4(7): 2539-2546, 2024 Jul 22.
Article en En | MEDLINE | ID: mdl-39055145
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.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: JACS Au Año: 2024 Tipo del documento: Article Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: JACS Au Año: 2024 Tipo del documento: Article Pais de publicación: Estados Unidos