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

doi:10.1002/chem.201802343

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 journal › Article › peer-review

5 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 language	English
Pages (from-to)	14044-14047
Number of pages	4
Journal	Chemistry - A European Journal
Volume	24
Issue number	53
DOIs	https://doi.org/10.1002/chem.201802343
Publication status	Published - 2018 Sept 20
Externally published	Yes

Keywords

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

ASJC Scopus subject areas

Catalysis
Organic Chemistry

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10.1002/chem.201802343

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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. / Lirio, Stephen; Shih, Yung Han; Hsiao, Shu Ying et al.
In: Chemistry - A European Journal, Vol. 24, No. 53, 20.09.2018, p. 14044-14047.

Research output: Contribution to journal › Article › peer-review

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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.",

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AU - Lirio, Stephen

AU - Shih, Yung Han

AU - Hsiao, Shu Ying

AU - Chen, Jian Hong

AU - Chen, Hsin Tsung

AU - Liu, Wan Ling

AU - Lin, Chia Her

AU - Huang, Hsi Ya

PY - 2018/9/20

Y1 - 2018/9/20

N2 - 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.

AB - 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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KW - density functional theory

KW - metal–organic frameworks

KW - solid-phase microextraction

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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

Abstract

Keywords

ASJC Scopus subject areas

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