skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers

Abstract

As an alternative technology to energy intensive distillations, adsorptive separation by porous solids offers lower energy cost and higher efficiency. Herein we report a topology-directed design and synthesis of a series of Zr-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, a critical step in the petroleum refining process to produce gasoline with high octane rating. Zr 6O 4(OH) 4(bptc) 3 adsorbs a large amount of n-hexane but excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr 6O 4(OH) 8(H 2O) 4(abtc) 2, is capable of discriminating all three C6 isomers and yielding a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is critical for producing gasoline with further improved quality. Multicomponent breakthrough experiments provide a quantitative measure of the capability of these materials for separation of C6 alkane isomers. A detailed structural analysis reveals the unique topology, connectivity and relationship of these compounds.

Authors:
 [1]; ORCiD logo [2];  [3]; ORCiD logo [4];  [5];  [6]; ORCiD logo [7];  [8];  [6];  [1];  [1]; ORCiD logo [9];  [6];  [10];  [3]; ORCiD logo [2];  [1]
  1. Rutgers Univ., Piscataway, NJ (United States). Department of Chemistry and Chemical Biology
  2. King Abdullah University of Science and Technology, Thuwal (Saudi Arabia). Advanced Membranes and Porous Materials Center, Physical Sciences and Engineering Division
  3. Peking University, Beijing (China). College of Chemistry and Molecular Engineering
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  5. Wake Forest University, Winston-Salem, NC (United States). Department of Physics
  6. Univ. of Texas-Dallas, Richardson, TX (United States). Department of Materials Science & Engineering
  7. Samara University (Russia). Samara Center for Theoretical Materials Science (SCTMS
  8. Rutgers Univ., Piscataway, NJ (United States). Department of Chemistry and Chemical Biology; South China University of Technology, Guangzhou (China). School of Chemistry and Chemical Engineering
  9. Samara University (Russia). Samara Center for Theoretical Materials Science (SCTMS; Università degli Studi di Milano, Milano (Italy). Dipartimento di Chimica
  10. Wake Forest University, Winston-Salem, NC (United States). Department of Physics; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Department of Chemistry
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1436677
DOE Contract Number:  
AC02-05CH11231; FG02-08ER46491
Resource Type:
Journal Article
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Wang, Hao, Dong, Xinglong, Lin, Junzhong, Teat, Simon J., Jensen, Stephanie, Cure, Jeremy, Alexandrov, Eugeny V., Xia, Qibin, Tan, Kui, Wang, Qining, Olson, David H., Proserpio, Davide M., Chabal, Yves J., Thonhauser, Timo, Sun, Junliang, Han, Yu, and Li, Jing. Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers. United States: N. p., 2018. Web. doi:10.1038/s41467-018-04152-5.
Wang, Hao, Dong, Xinglong, Lin, Junzhong, Teat, Simon J., Jensen, Stephanie, Cure, Jeremy, Alexandrov, Eugeny V., Xia, Qibin, Tan, Kui, Wang, Qining, Olson, David H., Proserpio, Davide M., Chabal, Yves J., Thonhauser, Timo, Sun, Junliang, Han, Yu, & Li, Jing. Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers. United States. doi:10.1038/s41467-018-04152-5.
Wang, Hao, Dong, Xinglong, Lin, Junzhong, Teat, Simon J., Jensen, Stephanie, Cure, Jeremy, Alexandrov, Eugeny V., Xia, Qibin, Tan, Kui, Wang, Qining, Olson, David H., Proserpio, Davide M., Chabal, Yves J., Thonhauser, Timo, Sun, Junliang, Han, Yu, and Li, Jing. Tue . "Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers". United States. doi:10.1038/s41467-018-04152-5. https://www.osti.gov/servlets/purl/1436677.
@article{osti_1436677,
title = {Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers},
author = {Wang, Hao and Dong, Xinglong and Lin, Junzhong and Teat, Simon J. and Jensen, Stephanie and Cure, Jeremy and Alexandrov, Eugeny V. and Xia, Qibin and Tan, Kui and Wang, Qining and Olson, David H. and Proserpio, Davide M. and Chabal, Yves J. and Thonhauser, Timo and Sun, Junliang and Han, Yu and Li, Jing},
abstractNote = {As an alternative technology to energy intensive distillations, adsorptive separation by porous solids offers lower energy cost and higher efficiency. Herein we report a topology-directed design and synthesis of a series of Zr-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, a critical step in the petroleum refining process to produce gasoline with high octane rating. Zr6O4(OH)4(bptc)3 adsorbs a large amount of n-hexane but excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr6O4(OH)8(H2O)4(abtc)2, is capable of discriminating all three C6 isomers and yielding a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is critical for producing gasoline with further improved quality. Multicomponent breakthrough experiments provide a quantitative measure of the capability of these materials for separation of C6 alkane isomers. A detailed structural analysis reveals the unique topology, connectivity and relationship of these compounds.},
doi = {10.1038/s41467-018-04152-5},
journal = {Nature Communications},
issn = {2041-1723},
number = 1,
volume = 9,
place = {United States},
year = {2018},
month = {5}
}

Journal Article:

Figures / Tables:

Fig. 1 Fig. 1: Structure analysis of compounds 1–3. Compounds 1, 2, and 3 are built on 12-, 8-, and 4-connected Zr6 clusters, linked by tetratopic organic ligands bptc, abtc, and tptc-(Me)2, forming ftw, scu, and lvt type structures, respectively

Save / Share:

Works referenced in this record:

Stability and degradation mechanisms of metal–organic frameworks containing the Zr6O4(OH)4 secondary building unit
journal, January 2013

  • DeCoste, Jared B.; Peterson, Gregory W.; Jasuja, Himanshu
  • Journal of Materials Chemistry A, Vol. 1, Issue 18
  • DOI: 10.1039/c3ta10662d

Identifying the Role of Terahertz Vibrations in Metal-Organic Frameworks: From Gate-Opening Phenomenon to Shear-Driven Structural Destabilization
journal, November 2014


Methane storage in metal–organic frameworks
journal, January 2014

  • He, Yabing; Zhou, Wei; Qian, Guodong
  • Chem. Soc. Rev., Vol. 43, Issue 16
  • DOI: 10.1039/C4CS00032C

Seven chemical separations to change the world
journal, April 2016

  • Sholl, David S.; Lively, Ryan P.
  • Nature, Vol. 532, Issue 7600
  • DOI: 10.1038/532435a

A microporous metal–organic framework with rare lvt topology for highly selective C 2 H 2 /C 2 H 4 separation at room temperature
journal, January 2015

  • Wen, Hui-Min; Li, Bin; Wang, Hailong
  • Chemical Communications, Vol. 51, Issue 26
  • DOI: 10.1039/C4CC09999K

First examples of aliphatic zirconium MOFs and the influence of inorganic anions on their crystal structures
journal, January 2015

  • Reinsch, Helge; Stassen, Ivo; Bueken, Bart
  • CrystEngComm, Vol. 17, Issue 2
  • DOI: 10.1039/C4CE01457J

Controlling guest conformation for efficient purification of butadiene
journal, June 2017


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

Separation of C 6 Paraffins Using Zeolitic Imidazolate Frameworks: Comparison with Zeolite 5A
journal, March 2012

  • Peralta, David; Chaplais, Gérald; Simon-Masseron, Angélique
  • Industrial & Engineering Chemistry Research, Vol. 51, Issue 12
  • DOI: 10.1021/ie202995g

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


Topology-dependent emissive properties of zirconium-based porphyrin MOFs
journal, January 2016

  • Deria, Pravas; Yu, Jierui; Balaraman, Rajesh P.
  • Chemical Communications, Vol. 52, Issue 88
  • DOI: 10.1039/C6CC07343C

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

Computational Screening of Nanoporous Materials for Hexane and Heptane Isomer Separation
journal, July 2017


Metal–organic frameworks for membrane-based separations
journal, November 2016


Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores
journal, August 2008

  • Caskey, Stephen R.; Wong-Foy, Antek G.; Matzger, Adam J.
  • Journal of the American Chemical Society, Vol. 130, Issue 33, p. 10870-10871
  • DOI: 10.1021/ja8036096

Adsorptive Bulk Separations by Zeolite Molecular Sieves
journal, August 1988


Imparting amphiphobicity on single-crystalline porous materials
journal, October 2016

  • Sun, Qi; He, Hongming; Gao, Wen-Yang
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms13300

Commensurate Adsorption of Hydrocarbons and Alcohols in Microporous Metal Organic Frameworks
journal, September 2011

  • Wu, Haohan; Gong, Qihan; Olson, David H.
  • Chemical Reviews, Vol. 112, Issue 2
  • DOI: 10.1021/cr200216x

Topology-Guided Design and Syntheses of Highly Stable Mesoporous Porphyrinic Zirconium Metal–Organic Frameworks with High Surface Area
journal, December 2014

  • Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin
  • Journal of the American Chemical Society, Vol. 137, Issue 1
  • DOI: 10.1021/ja5111317

Effective Adsorption Separation of n -Hexane/2-Methylpentane in Facilely Synthesized Zeolitic Imidazolate Frameworks ZIF-8 and ZIF-69
journal, September 2016

  • Chen, Le; Yuan, Sheng; Qian, Jun-Feng
  • Industrial & Engineering Chemistry Research, Vol. 55, Issue 40
  • DOI: 10.1021/acs.iecr.6b02175

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

Carbon Dioxide Capture in Metal–Organic Frameworks
journal, September 2011

  • Sumida, Kenji; Rogow, David L.; Mason, Jarad A.
  • Chemical Reviews, Vol. 112, Issue 2, p. 724-781
  • DOI: 10.1021/cr2003272

Hydrocarbon Separations in Metal–Organic Frameworks
journal, September 2013

  • Herm, Zoey R.; Bloch, Eric D.; Long, Jeffrey R.
  • Chemistry of Materials, Vol. 26, Issue 1
  • DOI: 10.1021/cm402897c

Tuning the Gate Opening Pressure of Metal–Organic Frameworks (MOFs) for the Selective Separation of Hydrocarbons
journal, September 2012

  • Nijem, Nour; Wu, Haohan; Canepa, Pieremanuele
  • Journal of the American Chemical Society, Vol. 134, Issue 37
  • DOI: 10.1021/ja305754f

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


Topological relations between three-dimensional periodic nets. I. Uninodal nets
journal, June 2007

  • Blatov, Vladislav A.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 63, Issue 4
  • DOI: 10.1107/S0108767307022088

A partially interpenetrated metal–organic framework for selective hysteretic sorption of carbon dioxide
journal, June 2012

  • Yang, Sihai; Lin, Xiang; Lewis, William
  • Nature Materials, Vol. 11, Issue 8
  • DOI: 10.1038/nmat3343

Ultraporous, Water Stable, and Breathing Zirconium-Based Metal–Organic Frameworks with ftw Topology
journal, September 2015

  • Deria, Pravas; Gómez-Gualdrón, Diego A.; Bury, Wojciech
  • Journal of the American Chemical Society, Vol. 137, Issue 40
  • DOI: 10.1021/jacs.5b08860

Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation
journal, February 2013

  • Nugent, Patrick; Belmabkhout, Youssef; Burd, Stephen D.
  • Nature, Vol. 495, Issue 7439, p. 80-84
  • DOI: 10.1038/nature11893

A metal-organic framework-based splitter for separating propylene from propane
journal, July 2016


Single and multicomponent adsorption of hexane isomers in the microporous ZIF-8
journal, August 2014


Light hydrocarbon sorption properties of pure silica Si-CHA and ITQ-3 and high silica ZSM-58
journal, January 2004


Water-Stable Zirconium-Based Metal-Organic Framework Material with High-Surface Area and Gas-Storage Capacities
journal, August 2014

  • Gutov, Oleksii V.; Bury, Wojciech; Gomez-Gualdron, Diego A.
  • Chemistry - A European Journal, Vol. 20, Issue 39
  • DOI: 10.1002/chem.201402895

Hydrogen Storage in Metal–Organic Frameworks
journal, September 2011

  • Suh, Myunghyun Paik; Park, Hye Jeong; Prasad, Thazhe Kootteri
  • Chemical Reviews, Vol. 112, Issue 2, p. 782-835
  • DOI: 10.1021/cr200274s

Water Vapor Sorption in Hybrid Pillared Square Grid Materials
journal, June 2017

  • O’Nolan, Daniel; Kumar, Amrit; Zaworotko, Michael J.
  • Journal of the American Chemical Society, Vol. 139, Issue 25
  • DOI: 10.1021/jacs.7b01682

Reticular synthesis and the design of new materials
journal, June 2003

  • Yaghi, Omar M.; O'Keeffe, Michael; Ockwig, Nathan W.
  • Nature, Vol. 423, Issue 6941, p. 705-714
  • DOI: 10.1038/nature01650

Mercury nano-trap for effective and efficient removal of mercury(II) from aqueous solution
journal, November 2014

  • Li, Baiyan; Zhang, Yiming; Ma, Dingxuan
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms6537

Vapor-Phase Metalation by Atomic Layer Deposition in a Metal–Organic Framework
journal, May 2013

  • Mondloch, Joseph E.; Bury, Wojciech; Fairen-Jimenez, David
  • Journal of the American Chemical Society, Vol. 135, Issue 28, p. 10294-10297
  • DOI: 10.1021/ja4050828

Deconstructing the Crystal Structures of Metal–Organic Frameworks and Related Materials into Their Underlying Nets
journal, September 2011

  • O’Keeffe, Michael; Yaghi, Omar M.
  • Chemical Reviews, Vol. 112, Issue 2, p. 675-702
  • DOI: 10.1021/cr200205j

Equilibrium and kinetics ofn– hexane sorption in pellets of 5A zeolite
journal, October 1997


Structural Phase Transitions and Thermal Hysteresis in the Metal−Organic Framework Compound MIL-53 As Studied by Electron Spin Resonance Spectroscopy
journal, October 2010

  • Mendt, Matthias; Jee, Bettina; Stock, Norbert
  • The Journal of Physical Chemistry C, Vol. 114, Issue 45
  • DOI: 10.1021/jp107487g

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

Topological Analysis of Metal–Organic Frameworks with Polytopic Linkers and/or Multiple Building Units and the Minimal Transitivity Principle
journal, November 2013

  • Li, Mian; Li, Dan; O’Keeffe, Michael
  • Chemical Reviews, Vol. 114, Issue 2
  • DOI: 10.1021/cr400392k

Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties?
journal, May 2013

  • Ortiz, Aurélie U.; Boutin, A.; Fuchs, Alain H.
  • The Journal of Chemical Physics, Vol. 138, Issue 17
  • DOI: 10.1063/1.4802770

Applied Topological Analysis of Crystal Structures with the Program Package ToposPro
journal, May 2014

  • Blatov, Vladislav A.; Shevchenko, Alexander P.; Proserpio, Davide M.
  • Crystal Growth & Design, Vol. 14, Issue 7
  • DOI: 10.1021/cg500498k

Metal Azolate Frameworks: From Crystal Engineering to Functional Materials
journal, September 2011

  • Zhang, Jie-Peng; Zhang, Yue-Biao; Lin, Jian-Bin
  • Chemical Reviews, Vol. 112, Issue 2
  • DOI: 10.1021/cr200139g

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

Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene
journal, May 2016


Toward Topology Prediction in Zr-Based Microporous Coordination Polymers: The Role of Linker Geometry and Flexibility
journal, May 2016


Synthesis and structure of Zr( iv )- and Ce( iv )-based CAU-24 with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene
journal, January 2016

  • Lammert, M.; Reinsch, H.; Murray, C. A.
  • Dalton Transactions, Vol. 45, Issue 47
  • DOI: 10.1039/C6DT03852B

The Effect of Pressure on ZIF-8: Increasing Pore Size with Pressure and the Formation of a High-Pressure Phase at 1.47 GPa
journal, September 2009

  • Moggach, Stephen A.; Bennett, Thomas D.; Cheetham, Anthony K.
  • Angewandte Chemie International Edition, Vol. 48, Issue 38
  • DOI: 10.1002/anie.200902643

Ionic liquid lubricants: designed chemistry for engineering applications
journal, January 2009

  • Zhou, Feng; Liang, Yongmin; Liu, Weimin
  • Chemical Society Reviews, Vol. 38, Issue 9
  • DOI: 10.1039/b817899m

Multifunctional metal–organic frameworks constructed from meta-benzenedicarboxylate units
journal, January 2014

  • He, Yabing; Li, Bin; O'Keeffe, Michael
  • Chem. Soc. Rev., Vol. 43, Issue 16
  • DOI: 10.1039/C4CS00041B

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

Zr- and Hf-Based Metal–Organic Frameworks: Tracking Down the Polymorphism
journal, February 2013

  • Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.
  • Crystal Growth & Design, Vol. 13, Issue 3, p. 1231-1237
  • DOI: 10.1021/cg301691d

A Rotating Adsorber for Multistage Cyclic Processes:  Principle and Experimental Demonstration in the Separation of Paraffins
journal, January 2001

  • Babich, Igor V.; van Langeveld, A. Dick; Zhu, Weidong
  • Industrial & Engineering Chemistry Research, Vol. 40, Issue 1
  • DOI: 10.1021/ie000456p

Metal–Organic Frameworks as Micromotors with Tunable Engines and Brakes
journal, January 2017

  • Li, Jinxing; Yu, Xiao; Xu, Mingli
  • Journal of the American Chemical Society, Vol. 139, Issue 2
  • DOI: 10.1021/jacs.6b11899

Sieving di-branched from mono-branched and linear alkanes using ZIF-8: experimental proof and theoretical explanation
journal, January 2013

  • Ferreira, Alexandre F. P.; Mittelmeijer-Hazeleger, Marjo C.; Granato, Miguel Angelo
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 22
  • DOI: 10.1039/c3cp44381g

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, Vol. 127, Issue 48
  • DOI: 10.1002/ange.201506345

    Works referencing / citing this record:

    Light hydrocarbon sorption properties of pure silica Si-CHA and ITQ-3 and high silica ZSM-58
    journal, January 2004


    Metal Azolate Frameworks: From Crystal Engineering to Functional Materials
    journal, September 2011

    • Zhang, Jie-Peng; Zhang, Yue-Biao; Lin, Jian-Bin
    • Chemical Reviews, Vol. 112, Issue 2
    • DOI: 10.1021/cr200139g

    Equilibrium and kinetics ofn– hexane sorption in pellets of 5A zeolite
    journal, October 1997


    A partially interpenetrated metal–organic framework for selective hysteretic sorption of carbon dioxide
    journal, June 2012

    • Yang, Sihai; Lin, Xiang; Lewis, William
    • Nature Materials, Vol. 11, Issue 8
    • DOI: 10.1038/nmat3343

    Ultraporous, Water Stable, and Breathing Zirconium-Based Metal–Organic Frameworks with ftw Topology
    journal, September 2015

    • Deria, Pravas; Gómez-Gualdrón, Diego A.; Bury, Wojciech
    • Journal of the American Chemical Society, Vol. 137, Issue 40
    • DOI: 10.1021/jacs.5b08860

    Imparting amphiphobicity on single-crystalline porous materials
    journal, October 2016

    • Sun, Qi; He, Hongming; Gao, Wen-Yang
    • Nature Communications, Vol. 7, Issue 1
    • DOI: 10.1038/ncomms13300

    Water-Stable Zirconium-Based Metal-Organic Framework Material with High-Surface Area and Gas-Storage Capacities
    journal, August 2014

    • Gutov, Oleksii V.; Bury, Wojciech; Gomez-Gualdron, Diego A.
    • Chemistry - A European Journal, Vol. 20, Issue 39
    • DOI: 10.1002/chem.201402895

    A Rotating Adsorber for Multistage Cyclic Processes:  Principle and Experimental Demonstration in the Separation of Paraffins
    journal, January 2001

    • Babich, Igor V.; van Langeveld, A. Dick; Zhu, Weidong
    • Industrial & Engineering Chemistry Research, Vol. 40, Issue 1
    • DOI: 10.1021/ie000456p

    Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene
    journal, May 2016


    Ionic liquid lubricants: designed chemistry for engineering applications
    journal, January 2009

    • Zhou, Feng; Liang, Yongmin; Liu, Weimin
    • Chemical Society Reviews, Vol. 38, Issue 9
    • DOI: 10.1039/b817899m

    Toward Topology Prediction in Zr-Based Microporous Coordination Polymers: The Role of Linker Geometry and Flexibility
    journal, May 2016


    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

    Reticular synthesis and the design of new materials
    journal, June 2003

    • Yaghi, Omar M.; O'Keeffe, Michael; Ockwig, Nathan W.
    • Nature, Vol. 423, Issue 6941, p. 705-714
    • DOI: 10.1038/nature01650

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


    Zr- and Hf-Based Metal–Organic Frameworks: Tracking Down the Polymorphism
    journal, February 2013

    • Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.
    • Crystal Growth & Design, Vol. 13, Issue 3, p. 1231-1237
    • DOI: 10.1021/cg301691d

    Water Vapor Sorption in Hybrid Pillared Square Grid Materials
    journal, June 2017

    • O’Nolan, Daniel; Kumar, Amrit; Zaworotko, Michael J.
    • Journal of the American Chemical Society, Vol. 139, Issue 25
    • DOI: 10.1021/jacs.7b01682

    Stability and degradation mechanisms of metal–organic frameworks containing the Zr6O4(OH)4 secondary building unit
    journal, January 2013

    • DeCoste, Jared B.; Peterson, Gregory W.; Jasuja, Himanshu
    • Journal of Materials Chemistry A, Vol. 1, Issue 18
    • DOI: 10.1039/c3ta10662d

    Hydrogen Storage in Metal–Organic Frameworks
    journal, September 2011

    • Suh, Myunghyun Paik; Park, Hye Jeong; Prasad, Thazhe Kootteri
    • Chemical Reviews, Vol. 112, Issue 2, p. 782-835
    • DOI: 10.1021/cr200274s

    Vapor-Phase Metalation by Atomic Layer Deposition in a Metal–Organic Framework
    journal, May 2013

    • Mondloch, Joseph E.; Bury, Wojciech; Fairen-Jimenez, David
    • Journal of the American Chemical Society, Vol. 135, Issue 28, p. 10294-10297
    • DOI: 10.1021/ja4050828

    Mercury nano-trap for effective and efficient removal of mercury(II) from aqueous solution
    journal, November 2014

    • Li, Baiyan; Zhang, Yiming; Ma, Dingxuan
    • Nature Communications, Vol. 5, Issue 1
    • DOI: 10.1038/ncomms6537

    Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties?
    journal, May 2013

    • Ortiz, Aurélie U.; Boutin, A.; Fuchs, Alain H.
    • The Journal of Chemical Physics, Vol. 138, Issue 17
    • DOI: 10.1063/1.4802770

    Topological Analysis of Metal–Organic Frameworks with Polytopic Linkers and/or Multiple Building Units and the Minimal Transitivity Principle
    journal, November 2013

    • Li, Mian; Li, Dan; O’Keeffe, Michael
    • Chemical Reviews, Vol. 114, Issue 2
    • DOI: 10.1021/cr400392k

    Metal–organic frameworks for membrane-based separations
    journal, November 2016


    Structural Phase Transitions and Thermal Hysteresis in the Metal−Organic Framework Compound MIL-53 As Studied by Electron Spin Resonance Spectroscopy
    journal, October 2010

    • Mendt, Matthias; Jee, Bettina; Stock, Norbert
    • The Journal of Physical Chemistry C, Vol. 114, Issue 45
    • DOI: 10.1021/jp107487g

    Deconstructing the Crystal Structures of Metal–Organic Frameworks and Related Materials into Their Underlying Nets
    journal, September 2011

    • O’Keeffe, Michael; Yaghi, Omar M.
    • Chemical Reviews, Vol. 112, Issue 2, p. 675-702
    • DOI: 10.1021/cr200205j

    Computational Screening of Nanoporous Materials for Hexane and Heptane Isomer Separation
    journal, July 2017


    Stack the Bowls: Tailoring the Electronic Structure of Corannulene-Integrated Crystalline Materials
    journal, July 2018

    • Rice, Allison M.; Dolgopolova, Ekaterina A.; Yarbrough, Brandon J.
    • Angewandte Chemie International Edition, Vol. 57, Issue 35
    • DOI: 10.1002/anie.201806202

    Applied Topological Analysis of Crystal Structures with the Program Package ToposPro
    journal, May 2014

    • Blatov, Vladislav A.; Shevchenko, Alexander P.; Proserpio, Davide M.
    • Crystal Growth & Design, Vol. 14, Issue 7
    • DOI: 10.1021/cg500498k

    The Effect of Pressure on ZIF-8: Increasing Pore Size with Pressure and the Formation of a High-Pressure Phase at 1.47 GPa
    journal, September 2009

    • Moggach, Stephen A.; Bennett, Thomas D.; Cheetham, Anthony K.
    • Angewandte Chemie International Edition, Vol. 48, Issue 38
    • DOI: 10.1002/anie.200902643

    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

    Hydrocarbon Separations in Metal–Organic Frameworks
    journal, September 2013

    • Herm, Zoey R.; Bloch, Eric D.; Long, Jeffrey R.
    • Chemistry of Materials, Vol. 26, Issue 1
    • DOI: 10.1021/cm402897c

    Commensurate Adsorption of Hydrocarbons and Alcohols in Microporous Metal Organic Frameworks
    journal, September 2011

    • Wu, Haohan; Gong, Qihan; Olson, David H.
    • Chemical Reviews, Vol. 112, Issue 2
    • DOI: 10.1021/cr200216x

    Carbon Dioxide Capture in Metal–Organic Frameworks
    journal, September 2011

    • Sumida, Kenji; Rogow, David L.; Mason, Jarad A.
    • Chemical Reviews, Vol. 112, Issue 2, p. 724-781
    • DOI: 10.1021/cr2003272

    Metal–Organic Frameworks as Micromotors with Tunable Engines and Brakes
    journal, January 2017

    • Li, Jinxing; Yu, Xiao; Xu, Mingli
    • Journal of the American Chemical Society, Vol. 139, Issue 2
    • DOI: 10.1021/jacs.6b11899

    A metal-organic framework-based splitter for separating propylene from propane
    journal, July 2016


    Topology-Guided Design and Syntheses of Highly Stable Mesoporous Porphyrinic Zirconium Metal–Organic Frameworks with High Surface Area
    journal, December 2014

    • Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin
    • Journal of the American Chemical Society, Vol. 137, Issue 1
    • DOI: 10.1021/ja5111317

    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

    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

    Sieving di-branched from mono-branched and linear alkanes using ZIF-8: experimental proof and theoretical explanation
    journal, January 2013

    • Ferreira, Alexandre F. P.; Mittelmeijer-Hazeleger, Marjo C.; Granato, Miguel Angelo
    • Physical Chemistry Chemical Physics, Vol. 15, Issue 22
    • DOI: 10.1039/c3cp44381g

    CCDC 1557155: Experimental Crystal Structure Determination
    dataset, January 2018


    Separation of C 6 Paraffins Using Zeolitic Imidazolate Frameworks: Comparison with Zeolite 5A
    journal, March 2012

    • Peralta, David; Chaplais, Gérald; Simon-Masseron, Angélique
    • Industrial & Engineering Chemistry Research, Vol. 51, Issue 12
    • DOI: 10.1021/ie202995g

    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

    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

    Controlling guest conformation for efficient purification of butadiene
    journal, June 2017


    Single and multicomponent adsorption of hexane isomers in the microporous ZIF-8
    journal, August 2014


    CCDC 1557154: Experimental Crystal Structure Determination
    dataset, January 2018


    Adsorptive Bulk Separations by Zeolite Molecular Sieves
    journal, August 1988


    Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation
    journal, February 2013

    • Nugent, Patrick; Belmabkhout, Youssef; Burd, Stephen D.
    • Nature, Vol. 495, Issue 7439, p. 80-84
    • DOI: 10.1038/nature11893

    Seven chemical separations to change the world
    journal, April 2016

    • Sholl, David S.; Lively, Ryan P.
    • Nature, Vol. 532, Issue 7600
    • DOI: 10.1038/532435a

    Constructing new metal–organic frameworks with complicated ligands from “One-Pot” in situ reactions
    journal, January 2019

    • Kong, Xiang-Jing; He, Tao; Zhang, Yong-Zheng
    • Chemical Science, Vol. 10, Issue 14
    • DOI: 10.1039/c9sc00178f

    A metal–organic framework with suitable pore size and dual functionalities for highly efficient post-combustion CO 2 capture
    journal, January 2019

    • Wen, Hui-Min; Liao, Caijun; Li, Libo
    • Journal of Materials Chemistry A, Vol. 7, Issue 7
    • DOI: 10.1039/c8ta11596f

    Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores
    journal, August 2008

    • Caskey, Stephen R.; Wong-Foy, Antek G.; Matzger, Adam J.
    • Journal of the American Chemical Society, Vol. 130, Issue 33, p. 10870-10871
    • DOI: 10.1021/ja8036096

    CCDC 1557153: Experimental Crystal Structure Determination
    dataset, January 2018


    Effective Adsorption Separation of n -Hexane/2-Methylpentane in Facilely Synthesized Zeolitic Imidazolate Frameworks ZIF-8 and ZIF-69
    journal, September 2016

    • Chen, Le; Yuan, Sheng; Qian, Jun-Feng
    • Industrial & Engineering Chemistry Research, Vol. 55, Issue 40
    • DOI: 10.1021/acs.iecr.6b02175

    Tuning the Gate Opening Pressure of Metal–Organic Frameworks (MOFs) for the Selective Separation of Hydrocarbons
    journal, September 2012

    • Nijem, Nour; Wu, Haohan; Canepa, Pieremanuele
    • Journal of the American Chemical Society, Vol. 134, Issue 37
    • DOI: 10.1021/ja305754f

    Current Status of Microporous Metal–Organic Frameworks for Hydrocarbon Separations
    journal, October 2019


    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

    Stack the Bowls: Tailoring the Electronic Structure of Corannulene-Integrated Crystalline Materials
    journal, July 2018

    • Rice, Allison M.; Dolgopolova, Ekaterina A.; Yarbrough, Brandon J.
    • Angewandte Chemie, Vol. 130, Issue 35
    • DOI: 10.1002/ange.201806202

    Current Status of Microporous Metal–Organic Frameworks for Hydrocarbon Separations
    journal, October 2019


    A metal–organic framework with suitable pore size and dual functionalities for highly efficient post-combustion CO 2 capture
    journal, January 2019

    • Wen, Hui-Min; Liao, Caijun; Li, Libo
    • Journal of Materials Chemistry A, Vol. 7, Issue 7
    • DOI: 10.1039/c8ta11596f

    Constructing new metal–organic frameworks with complicated ligands from “One-Pot” in situ reactions
    journal, January 2019

    • Kong, Xiang-Jing; He, Tao; Zhang, Yong-Zheng
    • Chemical Science, Vol. 10, Issue 14
    • DOI: 10.1039/c9sc00178f

      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.