ArticleAngewandte Chemie (International ed. in English)2021
Configurational Entropy Driven High-Pressure Behaviour of a Flexible Metal-Organic Framework (MOF).
Article in Angewandte Chemie (International ed. in English), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- COSmall (Weinheim an der Bergstrasse, Germany) · 2025Article
- Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites.Communications chemistry · 2023Article
- Enhancing COScientific reports · 2023Article
- Investigating the mechanical stability of flexible metal-organic frameworks.Communications chemistry · 2023Article
- Reduced thermal expansion by surface-mounted nanoparticles in a pillared-layered metal-organic framework.Communications chemistry · 2022Article
- Tuning the High-Pressure Phase Behaviour of Highly Compressible Zeolitic Imidazolate Frameworks: From Discontinuous to Continuous Pore Closure by Linker Substitution.Angewandte Chemie (International ed. in English) · 2022Article
- Guest-mediated phase transitions in a flexible pillared-layered metal-organic framework under high-pressure.Chemical science · 2021Article
- Configurational Entropy Driven High-Pressure Behaviour of a Flexible Metal-Organic Framework (MOF).Angewandte Chemie (International ed. in English) · 2021Article
- Molecular Dynamics Simulations of the Breathing Phase Transition of MOF Nanocrystallites II: Explicitly Modeling the Pressure Medium.Frontiers in chemistry · 2021Article
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Authors and funding
8 authors.
Funding
Abstract
Flexible metal-organic frameworks (MOFs) show large structural flexibility as a function of temperature or (gas)pressure variation, a fascinating property of high technological and scientific relevance. The targeted design of flexible MOFs demands control over the macroscopic thermodynamics as determined by microscopic chemical interactions and remains an open challenge. Herein we apply high-pressure powder X-ray diffraction and molecular dynamics simulations to gain insight into the microscopic chemical factors that determine the high-pressure macroscopic thermodynamics of two flexible pillared-layer MOFs. For the first time we identify configurational entropy that originates from side-chain modifications of the linker as the key factor determining the thermodynamics in a flexible MOF. The study shows that configurational entropy is an important yet largely overlooked parameter, providing an intriguing perspective of how to chemically access the underlying free energy landscape in MOFs.
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