Temperature‐Programmed Separation of Hexane Isomers by a Porous Calcium Chloranilate Metal‐Organic Framework

Lin, Yuhan; Yu, Liang; Ullah, Saif; Li, Xingyu; Wang, Hao; Xia, Qibin; Thonhauser, Timo; Li, Jing

doi:10.1002/ange.202214060

Temperature‐Programmed Separation of Hexane Isomers by a Porous Calcium Chloranilate Metal‐Organic Framework

Journal Article · Tue Nov 15 00:00:00 EST 2022 · Angewandte Chemie

DOI:https://doi.org/10.1002/ange.202214060· OSTI ID:1902540

Lin, Yuhan ^[1]; Yu, Liang ^[2]; Ullah, Saif ^[3]; Li, Xingyu ^[1]; ^[1]; Xia, Qibin ^[4]; Thonhauser, Timo ^[3]; Li, Jing ^[5]

Hoffmann Institute of Advanced Materials Shenzhen Polytechnic 7098 Liuxian Boulevard Shenzhen Guangdong 518055 P. R. China
Hoffmann Institute of Advanced Materials Shenzhen Polytechnic 7098 Liuxian Boulevard Shenzhen Guangdong 518055 P. R. China, School of Chemistry and Chemical Engineering South China University of Technology Guangzhou 510640 P. R. China
Department of Physics and Center for Functional Materials Wake Forest University Winston-Salem NC 27109 USA
School of Chemistry and Chemical Engineering South China University of Technology Guangzhou 510640 P. R. China
Hoffmann Institute of Advanced Materials Shenzhen Polytechnic 7098 Liuxian Boulevard Shenzhen Guangdong 518055 P. R. China, Department of Chemistry and Chemical Biology Rutgers University 123 Bevier Road Piscataway NJ 08854 USA

Abstract

The full separation of alkane isomers as a function of different degrees of branching remains a daunting challenge due to its stringent requirement with respect to pore dimensions of the adsorbents. In this work, we report a novel microporous coordination network built on calcium (II) and chloranilate. The compound has a flexible framework and exhibits temperature‐dependent adsorption behavior toward hexane isomers. At 30 °C, it accommodates substantial amounts of linear and monobranched hexanes but fully excludes their dibranched isomer, and at elevated temperatures such as 150 °C, it acts as a splitter for linear and branched alkanes. Its capability of efficient discrimination of hexane isomers as a function of branching is verified by experimental breakthrough measurements. Ab initio calculations have uncovered the underlying selective size‐exclusion separation mechanism.

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0019902

OSTI ID:: 1902540

Journal Information:: Angewandte Chemie, Journal Name: Angewandte Chemie Journal Issue: 50 Vol. 134; ISSN 0044-8249

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

References (27)

Metal-Organic Frameworks for Water Harvesting from Air Kalmutzki, Markus J.; Diercks, Christian S.; Yaghi, Omar M. Advanced Materials, Vol. 30, Issue 37 https://doi.org/10.1002/adma.201704304	journal	April 2018
Comprehensive Pore Tuning in an Ultrastable Fluorinated Anion Cross‐Linked Cage‐Like MOF for Simultaneous Benchmark Propyne Recovery and Propylene Purification Jiang, Yunjia; Hu, Jianbo; Wang, Lingyao Angewandte Chemie, Vol. 134, Issue 18 https://doi.org/10.1002/ange.202200947	journal	March 2022
Comprehensive Pore Tuning in an Ultrastable Fluorinated Anion Cross‐Linked Cage‐Like MOF for Simultaneous Benchmark Propyne Recovery and Propylene Purification Jiang, Yunjia; Hu, Jianbo; Wang, Lingyao Angewandte Chemie International Edition, Vol. 61, Issue 18 https://doi.org/10.1002/anie.202200947	journal	March 2022
Upgrading Octane Number of Naphtha by a Robust and Easily Attainable Metal‐Organic Framework through Selective Molecular Sieving of Alkane Isomers Wang, Hao; Dong, Xinglong; Ding, Jiayu Chemistry – A European Journal, Vol. 27, Issue 46 https://doi.org/10.1002/chem.202101871	journal	July 2021
Screening Hoffman-type metal organic frameworks for efficient C2H2/CO2 separation Lou, Wushuang; Li, Jiahao; Sun, Wanqi Chemical Engineering Journal, Vol. 452 https://doi.org/10.1016/j.cej.2022.139296	journal	January 2023
Separation of naphtha on a series of ultramicroporous MOFs: A comparative study with zeolites Gong, Qihan; Yu, Liang; Ding, Jiayu Separation and Purification Technology, Vol. 294 https://doi.org/10.1016/j.seppur.2022.121219	journal	August 2022
Microporous Metal–Organic Frameworks for Adsorptive Separation of C5–C6 Alkane Isomers Wang, Hao; Li, Jing Accounts of Chemical Research, Vol. 52, Issue 7 https://doi.org/10.1021/acs.accounts.8b00658	journal	March 2019
Separation of C ₆ Paraffins Using Zeolitic Imidazolate Frameworks: Comparison with Zeolite 5A Peralta, David; Chaplais, Gérald; Simon-Masseron, Angélique Industrial & Engineering Chemistry Research, Vol. 51, Issue 12 https://doi.org/10.1021/ie202995g	journal	March 2012
Metal−Organic Frameworks with Exceptionally High Capacity for Storage of Carbon Dioxide at Room Temperature Millward, Andrew R.; Yaghi, Omar M. Journal of the American Chemical Society, Vol. 127, Issue 51, p. 17998-17999 https://doi.org/10.1021/ja0570032	journal	December 2005
Splitting Mono- and Dibranched Alkane Isomers by a Robust Aluminum-Based Metal–Organic Framework Material with Optimal Pore Dimensions Yu, Liang; Dong, Xinglong; Gong, Qihan Journal of the American Chemical Society, Vol. 142, Issue 15 https://doi.org/10.1021/jacs.0c01769	journal	March 2020
Crystallizing Atomic Xenon in a Flexible MOF to Probe and Understand Its Temperature-Dependent Breathing Behavior and Unusual Gas Adsorption Phenomenon Wang, Hao; Warren, Mark; Jagiello, Jacek Journal of the American Chemical Society, Vol. 142, Issue 47 https://doi.org/10.1021/jacs.0c09475	journal	November 2020
Pore Distortion in a Metal–Organic Framework for Regulated Separation of Propane and Propylene Yu, Liang; Han, Xue; Wang, Hao Journal of the American Chemical Society, Vol. 143, Issue 46 https://doi.org/10.1021/jacs.1c10423	journal	November 2021
A Microporous Metal–Organic Framework Incorporating Both Primary and Secondary Building Units for Splitting Alkane Isomers Yu, Liang; Ullah, Saif; Zhou, Kang Journal of the American Chemical Society, Vol. 144, Issue 9 https://doi.org/10.1021/jacs.1c12068	journal	January 2022
Geometry Mismatch and Reticular Chemistry: Strategies To Assemble Metal–Organic Frameworks with Non-default Topologies Guillerm, Vincent; Maspoch, Daniel Journal of the American Chemical Society, Vol. 141, Issue 42 https://doi.org/10.1021/jacs.9b08754	journal	September 2019
Solvent-switchable continuous-breathing behaviour in a diamondoid metal–organic framework and its influence on CO2 versus CH4 selectivity Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J. Nature Chemistry, Vol. 9, Issue 9 https://doi.org/10.1038/nchem.2747	journal	March 2017
Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers Wang, Hao; Dong, Xinglong; Lin, Junzhong Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-04152-5	journal	May 2018
MOF water harvesters Hanikel, Nikita; Prévot, Mathieu S.; Yaghi, Omar M. Nature Nanotechnology, Vol. 15, Issue 5 https://doi.org/10.1038/s41565-020-0673-x	journal	May 2020
One-of-a-kind: a microporous metal–organic framework capable of adsorptive separation of linear, mono- and di-branched alkane isomers via temperature- and adsorbate-dependent molecular sieving Wang, Hao; Dong, Xinglong; Velasco, Ever Energy & Environmental Science, Vol. 11, Issue 5 https://doi.org/10.1039/C8EE00459E	journal	January 2018
Efficient separation of xylene isomers by using a robust calcium-based metal–organic framework through a synergetic thermodynamically and kinetically controlled mechanism Lin, Yuhan; Zhang, Jian; Pandey, Haardik Journal of Materials Chemistry A, Vol. 9, Issue 46 https://doi.org/10.1039/D1TA08055E	journal	January 2021
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
The Chemistry and Applications of Metal-Organic Frameworks Furukawa, H.; Cordova, K. E.; O'Keeffe, M. Science, Vol. 341, Issue 6149, p. 1230444-1230444 https://doi.org/10.1126/science.1230444	journal	August 2013
Separation of Hexane Isomers in a Metal-Organic Framework with Triangular Channels Herm, Z. R.; Wiers, B. M.; Mason, J. A. Science, Vol. 340, Issue 6135, p. 960-964 https://doi.org/10.1126/science.1234071	journal	May 2013
CO2 capture from humid flue gases and humid atmosphere using a microporous coppersilicate Datta, S. J.; Khumnoon, C.; Lee, Z. H. Science, Vol. 350, Issue 6258 https://doi.org/10.1126/science.aab1680	journal	October 2015
Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene Cui, X.; Chen, K.; Xing, H. Science, Vol. 353, Issue 6295 https://doi.org/10.1126/science.aaf2458	journal	May 2016
A metal-organic framework-based splitter for separating propylene from propane Cadiau, A.; Adil, K.; Bhatt, P. M. Science, Vol. 353, Issue 6295 https://doi.org/10.1126/science.aaf6323	journal	July 2016
Discrimination of xylene isomers in a stacked coordination polymer Li, Liangying; Guo, Lidong; Olson, David H. Science, Vol. 377, Issue 6603 https://doi.org/10.1126/science.abj7659	journal	July 2022

Similar Records

Temperature–Programmed Separation of Hexane Isomers by a Porous Calcium Chloranilate Metal–Organic Framework

Journal Article · Tue Oct 18 20:00:00 EDT 2022 · Angewandte Chemie (International Edition) · OSTI ID:2305537

High‐Capacity Splitting of Mono‐ and Dibranched Hexane Isomers by a Robust Zinc‐Based Metal–Organic Framework

Journal Article · Mon Sep 19 20:00:00 EDT 2022 · Angewandte Chemie · OSTI ID:1888075

Temperature‐Programmed Separation of Hexane Isomers by a Porous Calcium Chloranilate Metal‐Organic Framework

Citation Formats

References (27)

Similar Records

Related Subjects