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Monitoring the Effect of Different Metal Centers in Metal–Organic Frameworks and Their Adsorption of Aromatic Molecules using Experimental and Simulation Studies
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Monitoring the Effect of Different Metal Centers in Metal–Organic Frameworks and Their Adsorption of Aromatic Molecules using Experimental and Simulation Studies

Stephen Lirio, Yung-Han Shih, Shu-Ying Hsiao, Jian-Hong Chen, Hsin-Tsung Chen, Wan-Ling Liu, Chia-Her Lin 和 Hsi-Ya Huang
Chemistry - A European Journal, 卷.24(53), 頁碼.14044-14047
09/2018
DOI: https://doi.org/10.1002/chem.201802343
PMID: 29923252

摘要

adsorption density functional theory metal–organic frameworks solid-phase microextraction Catalysis Organic Chemistry
In this study, the adsorption behavior of different metal centers in analogous M-1,4-NDC frameworks (1,4-NDC=1,4-naphthalenedicarboxylate) towards guest molecules through simulation studies and experimental studies is reported. Simulation studies showed that the adsorption behavior of analogous M-1,4-NDC is affected by the atomic radius of the metal center, which was found to be in agreement with the experimental studies.

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