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, Hsi Ya Huang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)14044-14047
Number of pages4
JournalChemistry - A European Journal
Volume24
Issue number53
DOIs
Publication statusPublished - 2018 Sep 20
Externally publishedYes

Keywords

  • adsorption
  • density functional theory
  • metal–organic frameworks
  • solid-phase microextraction

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

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