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

Cite this

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

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.",

keywords = "adsorption, density functional theory, metal–organic frameworks, solid-phase microextraction",

author = "Stephen Lirio and Shih, \{Yung Han\} and Hsiao, \{Shu Ying\} and Chen, \{Jian Hong\} and Chen, \{Hsin Tsung\} and Liu, \{Wan Ling\} and Lin, \{Chia Her\} and Huang, \{Hsi Ya\}",

note = "Publisher Copyright: {\textcopyright} 2018 Wiley-VCH Verlag GmbH \& Co. KGaA, Weinheim",

year = "2018",

month = sep,

day = "20",

doi = "10.1002/chem.201802343",

language = "English",

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T1 - Monitoring the Effect of Different Metal Centers in Metal–Organic Frameworks and Their Adsorption of Aromatic Molecules using Experimental and Simulation Studies

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.

KW - adsorption

KW - density functional theory

KW - metal–organic frameworks

KW - solid-phase microextraction

UR - https://www.scopus.com/pages/publications/85052486093

UR - https://www.scopus.com/pages/publications/85052486093#tab=citedBy

U2 - 10.1002/chem.201802343

DO - 10.1002/chem.201802343

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AN - SCOPUS:85052486093

SN - 0947-6539

VL - 24

SP - 14044

EP - 14047

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 53

ER -

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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