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/anie.202214060

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

Journal Article · Wed Oct 19 00:00:00 EDT 2022 · Angewandte Chemie (International Edition)

DOI:https://doi.org/10.1002/anie.202214060· OSTI ID:2305537

Lin, Yuhan ^[1]; Yu, Liang ^[2]; Ullah, Saif ^[3]; Li, Xingyu ^[4]; ^[4]; Xia, Qibin ^[5]; Thonhauser, Timo ^[3]; Li, Jing ^[6]

Shenzhen Polytechnic, Guangdong (China); Rutgers University
Shenzhen Polytechnic, Guangdong (China); South China University of Technology, Guangzhou (China)
Wake Forest University, Winston-Salem, NC (United States)
Shenzhen Polytechnic, Guangdong (China)
South China University of Technology, Guangzhou (China)
Shenzhen Polytechnic, Guangdong (China); Rutgers University, Piscataway, NJ (United States)

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. Furthermore, ab initio calculations have uncovered the underlying selective size-exclusion separation mechanism.

View Accepted Manuscript (DOE)

Research Organization:: Wake Forest University, Winston-Salem, NC (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019902

OSTI ID:: 2305537

Alternate ID(s):: OSTI ID: 1902464

Journal Information:: Angewandte Chemie (International Edition), Journal Name: Angewandte Chemie (International Edition) Journal Issue: 50 Vol. 61; ISSN 1433-7851

Publisher:: WileyCopyright Statement

Country of Publication:: United States

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

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