DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A Microporous Metal–Organic Framework Incorporating Both Primary and Secondary Building Units for Splitting Alkane Isomers

Abstract

We demonstrate the assembly of a mononuclear metal center, a hexanuclear cluster, and a V-shaped, trapezoidal tetracarboxylate linker into a microporous MOF featuring an unprecedented 3-nodal (4,4,8)-c lyu topology. Here, the compound, HIAM-302, represents the first example that incorporates both primary building unit (PBU) and hexanuclear secondary building unit (SBU) in one structure, which should be attributed to the desymmetrized geometry of the organic linker. HIAM-302 possesses optimal pore dimensions and can separate mono-branched and di-branched alkanes through selective molecular sieving, which is of significant value in petrochemical industry.

Authors:
 [1]; ORCiD logo [2];  [3]; ORCiD logo [4]; ORCiD logo [3];  [4];  [4];  [3]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [5]
  1. South China Univ. of Technology, Guangzhou (China); Shenzhen Polytechnic, Guangdong (China)
  2. Wake Forest Univ., Winston-Salem, NC (United States)
  3. Shenzhen Polytechnic, Guangdong (China)
  4. South China Univ. of Technology, Guangzhou (China)
  5. Rutgers Univ., Piscataway, NJ (United States); Shenzhen Polytechnic, Guangdong (China)
Publication Date:
Research Org.:
Wake Forest Univ., Winston-Salem, NC (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1863575
Grant/Contract Number:  
SC0019902
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Volume: 144; Journal Issue: 9; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Molecular structure; Mathematical methods; Adsorption; Chemical structure; Metal organic frameworks

Citation Formats

Yu, Liang, Ullah, Saif, Zhou, Kang, Xia, Qibin, Wang, Hao, Tu, Shi, Huang, Jiajin, Xia, Hai-Lun, Liu, Xiao-Yuan, Thonhauser, Timo, and Li, Jing. A Microporous Metal–Organic Framework Incorporating Both Primary and Secondary Building Units for Splitting Alkane Isomers. United States: N. p., 2022. Web. doi:10.1021/jacs.1c12068.
Yu, Liang, Ullah, Saif, Zhou, Kang, Xia, Qibin, Wang, Hao, Tu, Shi, Huang, Jiajin, Xia, Hai-Lun, Liu, Xiao-Yuan, Thonhauser, Timo, & Li, Jing. A Microporous Metal–Organic Framework Incorporating Both Primary and Secondary Building Units for Splitting Alkane Isomers. United States. https://doi.org/10.1021/jacs.1c12068
Yu, Liang, Ullah, Saif, Zhou, Kang, Xia, Qibin, Wang, Hao, Tu, Shi, Huang, Jiajin, Xia, Hai-Lun, Liu, Xiao-Yuan, Thonhauser, Timo, and Li, Jing. Fri . "A Microporous Metal–Organic Framework Incorporating Both Primary and Secondary Building Units for Splitting Alkane Isomers". United States. https://doi.org/10.1021/jacs.1c12068. https://www.osti.gov/servlets/purl/1863575.
@article{osti_1863575,
title = {A Microporous Metal–Organic Framework Incorporating Both Primary and Secondary Building Units for Splitting Alkane Isomers},
author = {Yu, Liang and Ullah, Saif and Zhou, Kang and Xia, Qibin and Wang, Hao and Tu, Shi and Huang, Jiajin and Xia, Hai-Lun and Liu, Xiao-Yuan and Thonhauser, Timo and Li, Jing},
abstractNote = {We demonstrate the assembly of a mononuclear metal center, a hexanuclear cluster, and a V-shaped, trapezoidal tetracarboxylate linker into a microporous MOF featuring an unprecedented 3-nodal (4,4,8)-c lyu topology. Here, the compound, HIAM-302, represents the first example that incorporates both primary building unit (PBU) and hexanuclear secondary building unit (SBU) in one structure, which should be attributed to the desymmetrized geometry of the organic linker. HIAM-302 possesses optimal pore dimensions and can separate mono-branched and di-branched alkanes through selective molecular sieving, which is of significant value in petrochemical industry.},
doi = {10.1021/jacs.1c12068},
journal = {Journal of the American Chemical Society},
number = 9,
volume = 144,
place = {United States},
year = {Fri Jan 28 00:00:00 EST 2022},
month = {Fri Jan 28 00:00:00 EST 2022}
}

Works referenced in this record:

Piezofluorochromic Metal–Organic Framework: A Microscissor Lift
journal, August 2015

  • Zhang, Qiang; Su, Jie; Feng, Dawei
  • Journal of the American Chemical Society, Vol. 137, Issue 32
  • DOI: 10.1021/jacs.5b04695

The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal–Organic Framework
journal, April 2013

  • Planas, Nora; Dzubak, Allison L.; Poloni, Roberta
  • Journal of the American Chemical Society, Vol. 135, Issue 20, p. 7402-7405
  • DOI: 10.1021/ja4004766

Continuous Breathing Rare-Earth MOFs Based on Hexanuclear Clusters with Gas Trapping Properties
journal, June 2021

  • Angeli, Giasemi K.; Loukopoulos, Edward; Kouvidis, Konstantinos
  • Journal of the American Chemical Society, Vol. 143, Issue 27
  • DOI: 10.1021/jacs.1c03762

Zr-based metal–organic frameworks: design, synthesis, structure, and applications
journal, January 2016

  • Bai, Yan; Dou, Yibo; Xie, Lin-Hua
  • Chemical Society Reviews, Vol. 45, Issue 8
  • DOI: 10.1039/C5CS00837A

CO2 capture from humid flue gases and humid atmosphere using a microporous coppersilicate
journal, October 2015


Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks
journal, September 2015


Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage
journal, January 2002

  • Eddaoudi, Mohamed; Kim, Jaheon; Rosi, Nathaniel
  • Science, Vol. 295, Issue 5554, p. 469-472
  • DOI: 10.1126/science.1067208

A density functional for sparse matter
journal, January 2009

  • Langreth, D. C.; Lundqvist, B. I.; Chakarova-Käck, S. D.
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 8
  • DOI: 10.1088/0953-8984/21/8/084203

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Ultra-Tuning of the Rare-Earth fcu-MOF Aperture Size for Selective Molecular Exclusion of Branched Paraffins
journal, October 2015

  • Assen, Ayalew H.; Belmabkhout, Youssef; Adil, Karim
  • Angewandte Chemie International Edition, Vol. 54, Issue 48
  • DOI: 10.1002/anie.201506345

Mesoporous Assembly of Aluminum Molecular Rings for Iodine Capture
journal, January 2021

  • Yao, Shuyang; Fang, Wei-Hui; Sun, Yayong
  • Journal of the American Chemical Society, Vol. 143, Issue 5
  • DOI: 10.1021/jacs.0c11778

Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connected ftw -MOFs
journal, January 2015

  • Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.
  • Chemical Science, Vol. 6, Issue 7
  • DOI: 10.1039/C5SC00614G

A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability
journal, October 2008

  • Cavka, Jasmina Hafizovic; Jakobsen, Søren; Olsbye, Unni
  • Journal of the American Chemical Society, Vol. 130, Issue 42, p. 13850-13851
  • DOI: 10.1021/ja8057953

A pore-engineered metal-organic framework with mixed ligands enabling highly efficient separation of hexane isomers for gasoline upgrading
journal, August 2021


Rare-earth metal–organic frameworks: from structure to applications
journal, January 2020

  • Saraci, Felix; Quezada-Novoa, Victor; Donnarumma, P. Rafael
  • Chemical Society Reviews, Vol. 49, Issue 22
  • DOI: 10.1039/D0CS00292E

Separation of Hexane Isomers in a Metal-Organic Framework with Triangular Channels
journal, May 2013


Metal−Organic Frameworks with Exceptionally High Capacity for Storage of Carbon Dioxide at Room Temperature
journal, December 2005

  • Millward, Andrew R.; Yaghi, Omar M.
  • Journal of the American Chemical Society, Vol. 127, Issue 51, p. 17998-17999
  • DOI: 10.1021/ja0570032

Chemical and Structural Stability of Zirconium-based Metal-Organic Frameworks with Large Three-Dimensional Pores by Linker Engineering
journal, December 2014

  • Kalidindi, Suresh B.; Nayak, Sanjit; Briggs, Michael E.
  • Angewandte Chemie International Edition, Vol. 54, Issue 1
  • DOI: 10.1002/anie.201406501

Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal–organic frameworks
journal, June 2014

  • Guillerm, Vincent; Weseliński, Łukasz J.; Belmabkhout, Youssef
  • Nature Chemistry, Vol. 6, Issue 8
  • DOI: 10.1038/nchem.1982

Programmable Topology in New Families of Heterobimetallic Metal–Organic Frameworks
journal, May 2018

  • Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.
  • Journal of the American Chemical Society, Vol. 140, Issue 20
  • DOI: 10.1021/jacs.8b02192

The Chemistry and Applications of Metal-Organic Frameworks
journal, August 2013

  • Furukawa, H.; Cordova, K. E.; O'Keeffe, M.
  • Science, Vol. 341, Issue 6149, p. 1230444-1230444
  • DOI: 10.1126/science.1230444

Splitting Mono- and Dibranched Alkane Isomers by a Robust Aluminum-Based Metal–Organic Framework Material with Optimal Pore Dimensions
journal, March 2020

  • Yu, Liang; Dong, Xinglong; Gong, Qihan
  • Journal of the American Chemical Society, Vol. 142, Issue 15
  • DOI: 10.1021/jacs.0c01769

Flexible Zn-MOF with Rare Underlying scu Topology for Effective Separation of C6 Alkane Isomers
journal, July 2021

  • Velasco, Ever; Xian, Shikai; Wang, Hao
  • ACS Applied Materials & Interfaces, Vol. 13, Issue 44
  • DOI: 10.1021/acsami.1c08678

van der Waals forces in density functional theory: a review of the vdW-DF method
journal, May 2015


Tailor-Made Microporous Metal-Organic Frameworks for the Full Separation of Propane from Propylene Through Selective Size Exclusion
journal, October 2018

  • Wang, Hao; Dong, Xinglong; Colombo, Valentina
  • Advanced Materials, Vol. 30, Issue 49
  • DOI: 10.1002/adma.201805088

Microporous Metal–Organic Frameworks for Adsorptive Separation of C5–C6 Alkane Isomers
journal, March 2019


Geometry Mismatch and Reticular Chemistry: Strategies To Assemble Metal–Organic Frameworks with Non-default Topologies
journal, September 2019

  • Guillerm, Vincent; Maspoch, Daniel
  • Journal of the American Chemical Society, Vol. 141, Issue 42
  • DOI: 10.1021/jacs.9b08754

Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes
journal, January 2021

  • Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua
  • Journal of the American Chemical Society, Vol. 143, Issue 7
  • DOI: 10.1021/jacs.0c11546