Efficient separation of xylene isomers by using a robust calcium-based metal-organic framework through a synergetic thermodynamically and kinetically controlled mechanism

Yuhan Lin; Jian Zhang; Haardik Pandey; Xinglong Dong; Qihan Gong; Hao Wang; Liang Yu; Kang Zhou; Wei Yu; Xiaoxi Huang; Timo Thonhauser; Yu Han; Jing Li

doi:10.1039/d1ta08055e

Efficient separation of xylene isomers by using a robust calcium-based metal-organic framework through a synergetic thermodynamically and kinetically controlled mechanism

Yuhan Lin, Jian Zhang, Haardik Pandey, Xinglong Dong, Qihan Gong, Hao Wang, Liang Yu, Kang Zhou, Wei Yu, Xiaoxi Huang, Timo Thonhauser, Yu Han, Jing Li

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

8 Scopus citations

Abstract

Adsorptive separation of physically and chemically similar molecules and understanding the underlying host–guest interactions at the molecular level are of significant scientific and practical importance. Here we report the development of a novel calcium-based metal–organic framework, formulated as Ca3(Htcpp)2 (H4tcpp = 2,3,5,6-tetrakis(4-carboxyphenyl)-pyrazine) featuring microporosity and high stability. This compound shows distinct adsorption behavior toward xylene isomers and is capable of separating them efficiently at an industrially relevant temperature. The selective adsorption is attributed to a synergetic thermodynamic and kinetic effect. The host–guest interactions were probed directly by single-crystal X-ray diffraction analysis and the adsorption affinity was evaluated through computational molecular simulations.

Original language	English (US)
Journal	JOURNAL OF MATERIALS CHEMISTRY A
DOIs	https://doi.org/10.1039/d1ta08055e
State	Published - 2021

Bibliographical note

KAUST Repository Item: Exported on 2021-11-25
Acknowledgements: We thank the National Natural Science Foundation of China (21901166), Guangdong Natural Science Foundation (2019A1515010692), and Shenzhen Science and Technology Progrm (No. JCYJ20190809145615620, and RCYX20200714114539243). Work in the US was entirely supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0019902.

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10.1039/d1ta08055e

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Lin, Y., Zhang, J., Pandey, H., Dong, X., Gong, Q., Wang, H., Yu, L., Zhou, K., Yu, W., Huang, X., Thonhauser, T., Han, Y., & Li, J. (2021). Efficient separation of xylene isomers by using a robust calcium-based metal-organic framework through a synergetic thermodynamically and kinetically controlled mechanism. JOURNAL OF MATERIALS CHEMISTRY A. https://doi.org/10.1039/d1ta08055e

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title = "Efficient separation of xylene isomers by using a robust calcium-based metal-organic framework through a synergetic thermodynamically and kinetically controlled mechanism",

abstract = "Adsorptive separation of physically and chemically similar molecules and understanding the underlying host–guest interactions at the molecular level are of significant scientific and practical importance. Here we report the development of a novel calcium-based metal–organic framework, formulated as Ca3(Htcpp)2 (H4tcpp = 2,3,5,6-tetrakis(4-carboxyphenyl)-pyrazine) featuring microporosity and high stability. This compound shows distinct adsorption behavior toward xylene isomers and is capable of separating them efficiently at an industrially relevant temperature. The selective adsorption is attributed to a synergetic thermodynamic and kinetic effect. The host–guest interactions were probed directly by single-crystal X-ray diffraction analysis and the adsorption affinity was evaluated through computational molecular simulations.",

author = "Yuhan Lin and Jian Zhang and Haardik Pandey and Xinglong Dong and Qihan Gong and Hao Wang and Liang Yu and Kang Zhou and Wei Yu and Xiaoxi Huang and Timo Thonhauser and Yu Han and Jing Li",

note = "KAUST Repository Item: Exported on 2021-11-25 Acknowledgements: We thank the National Natural Science Foundation of China (21901166), Guangdong Natural Science Foundation (2019A1515010692), and Shenzhen Science and Technology Progrm (No. JCYJ20190809145615620, and RCYX20200714114539243). Work in the US was entirely supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0019902.",

year = "2021",

doi = "10.1039/d1ta08055e",

language = "English (US)",

journal = "JOURNAL OF MATERIALS CHEMISTRY A",

issn = "2050-7496",

publisher = "Royal Society of Chemistry",

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T1 - Efficient separation of xylene isomers by using a robust calcium-based metal-organic framework through a synergetic thermodynamically and kinetically controlled mechanism

AU - Lin, Yuhan

AU - Zhang, Jian

AU - Pandey, Haardik

AU - Dong, Xinglong

AU - Gong, Qihan

AU - Wang, Hao

AU - Yu, Liang

AU - Zhou, Kang

AU - Yu, Wei

AU - Huang, Xiaoxi

AU - Thonhauser, Timo

AU - Han, Yu

AU - Li, Jing

N1 - KAUST Repository Item: Exported on 2021-11-25 Acknowledgements: We thank the National Natural Science Foundation of China (21901166), Guangdong Natural Science Foundation (2019A1515010692), and Shenzhen Science and Technology Progrm (No. JCYJ20190809145615620, and RCYX20200714114539243). Work in the US was entirely supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0019902.

PY - 2021

Y1 - 2021

N2 - Adsorptive separation of physically and chemically similar molecules and understanding the underlying host–guest interactions at the molecular level are of significant scientific and practical importance. Here we report the development of a novel calcium-based metal–organic framework, formulated as Ca3(Htcpp)2 (H4tcpp = 2,3,5,6-tetrakis(4-carboxyphenyl)-pyrazine) featuring microporosity and high stability. This compound shows distinct adsorption behavior toward xylene isomers and is capable of separating them efficiently at an industrially relevant temperature. The selective adsorption is attributed to a synergetic thermodynamic and kinetic effect. The host–guest interactions were probed directly by single-crystal X-ray diffraction analysis and the adsorption affinity was evaluated through computational molecular simulations.

AB - Adsorptive separation of physically and chemically similar molecules and understanding the underlying host–guest interactions at the molecular level are of significant scientific and practical importance. Here we report the development of a novel calcium-based metal–organic framework, formulated as Ca3(Htcpp)2 (H4tcpp = 2,3,5,6-tetrakis(4-carboxyphenyl)-pyrazine) featuring microporosity and high stability. This compound shows distinct adsorption behavior toward xylene isomers and is capable of separating them efficiently at an industrially relevant temperature. The selective adsorption is attributed to a synergetic thermodynamic and kinetic effect. The host–guest interactions were probed directly by single-crystal X-ray diffraction analysis and the adsorption affinity was evaluated through computational molecular simulations.

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DO - 10.1039/d1ta08055e

M3 - Article

SN - 2050-7496

JO - JOURNAL OF MATERIALS CHEMISTRY A

JF - JOURNAL OF MATERIALS CHEMISTRY A

ER -

Efficient separation of xylene isomers by using a robust calcium-based metal-organic framework through a synergetic thermodynamically and kinetically controlled mechanism

Abstract

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CCDC 2093142: Experimental Crystal Structure Determination : catena-(bis(mu-hydrogen 4,4',4'',4'''-(pyrazine-2,3,5,6-tetrayl)tetrabenzoato)-tri-calcium p-xylene unknown solvate dihydrate)

CCDC 2093141: Experimental Crystal Structure Determination : catena-(bis(mu-hydrogen 4,4',4'',4'''-(pyrazine-2,3,5,6-tetrayl)tetrabenzoato)-tri-calcium unknown solvate)

CCDC 2093140: Experimental Crystal Structure Determination : catena-(bis(mu-hydrogen 4,4',4'',4'''-(pyrazine-2,3,5,6-tetrayl)tetrabenzoato)-tri-calcium toluene o-xylene solvate dihydrate)

Cite this

Efficient separation of xylene isomers by using a robust calcium-based metal-organic framework through a synergetic thermodynamically and kinetically controlled mechanism

Abstract

Bibliographical note

Access to Document

Other files and links

Fingerprint

Datasets

CCDC 2093142: Experimental Crystal Structure Determination : catena-(bis(mu-hydrogen 4,4',4'',4'''-(pyrazine-2,3,5,6-tetrayl)tetrabenzoato)-tri-calcium p-xylene unknown solvate dihydrate)

CCDC 2093141: Experimental Crystal Structure Determination : catena-(bis(mu-hydrogen 4,4',4'',4'''-(pyrazine-2,3,5,6-tetrayl)tetrabenzoato)-tri-calcium unknown solvate)

CCDC 2093140: Experimental Crystal Structure Determination : catena-(bis(mu-hydrogen 4,4',4'',4'''-(pyrazine-2,3,5,6-tetrayl)tetrabenzoato)-tri-calcium toluene o-xylene solvate dihydrate)

Cite this