Insights into CO2 adsorption and chemical fixation properties of VPI-100 metal–organic frameworks

Zhu, Jie; Liu, Jianzhao; Machain, Yered; Bonnett, Brittany; Lin, Shaoyang; Cai, Meng; Kessinger, Matthew C.; Usov, Pavel M.; Xu, Wenqian; Senanayake, Sanjaya D.; Troya, Diego; Esker, Alan R.; Morris, Amanda J.

doi:10.1039/C8TA06383D

Title: Insights into CO₂ adsorption and chemical fixation properties of VPI-100 metal–organic frameworks

Journal Article · 29 August 2018 · Journal of Materials Chemistry. A

DOI: https://doi.org/10.1039/C8TA06383D · OSTI ID:1493738

^[1]; Liu, Jianzhao ^[1]; Machain, Yered ^[1]; Bonnett, Brittany ^[1]; Lin, Shaoyang ^[1]; Cai, Meng ^[1]; Kessinger, Matthew C. ^[1]; Usov, Pavel M. ^[1];

^[2];

^[3];

^[1]; Esker, Alan R. ^[1];

^[1]

Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Here, metal–organic frameworks (MOFs) have shown great promise as efficient CO₂ adsorbents, as well as an emerging class of heterogeneous catalysts for conversion of CO₂ to other useful chemicals. In this work, we synthesized and characterized two isostructural hafnium-based MOFs, denoted as Hf-VPI-100 (Cu) and Hf-VPI-100 (Ni). Both frameworks demonstrated high catalytic efficiency for cycloaddition of CO₂ to epoxides under ambient pressure. In situ PXRD, QCM and DRIFTs have been used to probe the interaction between the guest molecules (CO₂/epoxide) and Hf-VPI-100. The crystal structures of these frameworks were preserved during the exposure to CO₂ atmosphere up to 20 bar. The epoxide uptake per unit cell of VPI-100 and diffusion coefficients have been calculated by QCM analysis. Comparison of catalytic efficiency between Hf-VPI-100 and the previously reported Zr-based VPI-100, aided by electronic structure calculations revealed that the open metal centers in the metallocyclam act as the primary Lewis acid sites to facilitate the catalytic conversion of CO₂.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1493738

Journal Information:: Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Journal Issue: 44 Vol. 6; ISSN JMCAET; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

References (40)

Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic Frameworks with Ultrahigh Stability as Biomimetic Catalysts Feng, Dawei; Gu, Zhi-Yuan; Li, Jian-Rong Angewandte Chemie, Vol. 124, Issue 41, p. 10453-10456 https://doi.org/10.1002/ange.201204475	journal	August 2012
Transformation of Carbon Dioxide with Homogeneous Transition-Metal Catalysts: A Molecular Solution to a Global Challenge? Cokoja, Mirza; Bruckmeier, Christian; Rieger, Bernhard Angewandte Chemie International Edition, Vol. 50, Issue 37 https://doi.org/10.1002/anie.201102010	journal	August 2011
Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic Frameworks with Ultrahigh Stability as Biomimetic Catalysts Feng, Dawei; Gu, Zhi-Yuan; Li, Jian-Rong Angewandte Chemie International Edition, Vol. 51, Issue 41 https://doi.org/10.1002/anie.201204475	journal	August 2012
Modulated Synthesis of Zr-Based Metal-Organic Frameworks: From Nano to Single Crystals Schaate, Andreas; Roy, Pascal; Godt, Adelheid Chemistry - A European Journal, Vol. 17, Issue 24 https://doi.org/10.1002/chem.201003211	journal	May 2011
Investigation of the molecular transport of aliphatic and aromatic esters into engineering polymer membranes Aminabhavi, Tejraj M.; Munnolli, Ravindra S. Polymer International, Vol. 34, Issue 1 https://doi.org/10.1002/pi.1994.210340109	journal	May 1994
Metal-Organic Frameworks for CO ₂ Chemical Transformations He, Hongming; Perman, Jason A.; Zhu, Guangshan Small, Vol. 12, Issue 46 https://doi.org/10.1002/smll.201602711	journal	October 2016
Verwendung von Schwingquarzen zur W�gung d�nner Schichten und zur Mikrow�gung Sauerbrey, G�nter Zeitschrift f�r Physik, Vol. 155, Issue 2 https://doi.org/10.1007/BF01337937	journal	April 1959
Metal–organic frameworks (MOFs) Su, Cheng-Yong; Dong, Yu-Bin Journal of Solid State Chemistry, Vol. 223 https://doi.org/10.1016/j.jssc.2014.10.034	journal	March 2015
Interaction parameters for the uptake of sulfur mustard mimics into polyurethane films Grissom, Tyler G.; Sirrine, Justin M.; Long, Timothy E. Progress in Organic Coatings, Vol. 107 https://doi.org/10.1016/j.porgcoat.2017.02.020	journal	June 2017
Direct Synthesis of Hierarchically Porous Metal–Organic Frameworks with High Stability and Strong Brønsted Acidity: The Decisive Role of Hafnium in Efficient and Selective Fructose Dehydration Hu, Zhigang; Peng, Yongwu; Gao, Yongjun Chemistry of Materials, Vol. 28, Issue 8 https://doi.org/10.1021/acs.chemmater.6b00139	journal	April 2016
Interpenetrating Metal–Metalloporphyrin Framework for Selective CO ₂ Uptake and Chemical Transformation of CO ₂ Gao, Wen-Yang; Tsai, Chen-Yen; Wojtas, Lukasz Inorganic Chemistry, Vol. 55, Issue 15 https://doi.org/10.1021/acs.inorgchem.6b00937	journal	June 2016
Benzene, Toluene, and Xylene Transport through UiO-66: Diffusion Rates, Energetics, and the Role of Hydrogen Bonding Grissom, Tyler G.; Sharp, Conor H.; Usov, Pavel M. The Journal of Physical Chemistry C, Vol. 122, Issue 28 https://doi.org/10.1021/acs.jpcc.8b03356	journal	June 2018
Honeycomb Metal–Organic Framework with Lewis Acidic and Basic Bifunctional Sites: Selective Adsorption and CO ₂ Catalytic Fixation Li, Xiu-Yuan; Ma, Li-Na; Liu, Yang ACS Applied Materials & Interfaces, Vol. 10, Issue 13 https://doi.org/10.1021/acsami.8b01291	journal	March 2018
Molecular Approaches to the Photocatalytic Reduction of Carbon Dioxide for Solar Fuels Morris, Amanda J.; Meyer, Gerald J.; Fujita, Etsuko Accounts of Chemical Research, Vol. 42, Issue 12 https://doi.org/10.1021/ar9001679	journal	December 2009
Construction of Ultrastable Porphyrin Zr Metal–Organic Frameworks through Linker Elimination Feng, Dawei; Chung, Wan-Chun; Wei, Zhangwen Journal of the American Chemical Society, Vol. 135, Issue 45 https://doi.org/10.1021/ja408084j	journal	October 2013
A Hafnium-Based Metal–Organic Framework as an Efficient and Multifunctional Catalyst for Facile CO₂ Fixation and Regioselective and Enantioretentive Epoxide Activation Beyzavi, M. Hassan; Klet, Rachel C.; Tussupbayev, Samat Journal of the American Chemical Society, Vol. 136, Issue 45, p. 15861-15864 https://doi.org/10.1021/ja508626n	journal	October 2014
A New Class of Metal-Cyclam-Based Zirconium Metal–Organic Frameworks for CO ₂ Adsorption and Chemical Fixation Zhu, Jie; Usov, Pavel M.; Xu, Wenqian Journal of the American Chemical Society, Vol. 140, Issue 3 https://doi.org/10.1021/jacs.7b10643	journal	January 2018
The chemistry of metal–organic frameworks for CO2 capture, regeneration and conversion Trickett, Christopher A.; Helal, Aasif; Al-Maythalony, Bassem A. Nature Reviews Materials, Vol. 2, Issue 8 https://doi.org/10.1038/natrevmats.2017.45	journal	July 2017
Anthropogenic ocean acidification over the twenty-first century and its impact on calcifying organisms Orr, James C.; Fabry, Victoria J.; Aumont, Olivier Nature, Vol. 437, Issue 7059 https://doi.org/10.1038/nature04095	journal	September 2005
Warming caused by cumulative carbon emissions towards the trillionth tonne Allen, Myles R.; Frame, David J.; Huntingford, Chris Nature, Vol. 458, Issue 7242 https://doi.org/10.1038/nature08019	journal	April 2009
Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal–organic frameworks Guillerm, Vincent; Weseliński, Łukasz J.; Belmabkhout, Youssef Nature Chemistry, Vol. 6, Issue 8 https://doi.org/10.1038/nchem.1982	journal	June 2014
The surface barrier phenomenon at the loading of metal-organic frameworks Heinke, Lars; Gu, Zhigang; Wöll, Christof Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5562	journal	July 2014
The role of reticular chemistry in the design of CO2 reduction catalysts Diercks, Christian S.; Liu, Yuzhong; Cordova, Kyle E. Nature Materials, Vol. 17, Issue 4 https://doi.org/10.1038/s41563-018-0033-5	journal	February 2018
Molecular approaches to the electrochemical reduction of carbon dioxide Finn, Colin; Schnittger, Sorcha; Yellowlees, Lesley J. Chem. Commun., Vol. 48, Issue 10 https://doi.org/10.1039/C1CC15393E	journal	January 2012
Metal–Organic Frameworks (MOFs) Zhou, Hong-Cai “Joe”; Kitagawa, Susumu Chem. Soc. Rev., Vol. 43, Issue 16 https://doi.org/10.1039/C4CS90059F	journal	January 2014
Ionic liquid tethered post functionalized ZIF-90 framework for the cycloaddition of propylene oxide and CO ₂ Tharun, Jose; Bhin, Kyung-Mi; Roshan, Roshith Green Chemistry, Vol. 18, Issue 8 https://doi.org/10.1039/C5GC02153G	journal	January 2016
Metalloporphyrin-based organic polymers for carbon dioxide fixation to cyclic carbonate Chen, Aibing; Zhang, Yunzhao; Chen, Jinzhu Journal of Materials Chemistry A, Vol. 3, Issue 18 https://doi.org/10.1039/C5TA00993F	journal	January 2015
Metal organic framework based catalysts for CO ₂ conversion Maina, James W.; Pozo-Gonzalo, Cristina; Kong, Lingxue Materials Horizons, Vol. 4, Issue 3 https://doi.org/10.1039/C6MH00484A	journal	January 2017
Structure activity relationships in metal–organic framework catalysts for the continuous flow synthesis of propylene carbonate from CO ₂ and propylene oxide James, Bryant R.; Boissonnault, Jake A.; Wong-Foy, Antek G. RSC Advances, Vol. 8, Issue 4 https://doi.org/10.1039/C7RA13245J	journal	January 2018
An alkaline-resistant Ag( i )-anchored pyrazolate-based metal–organic framework for chemical fixation of CO ₂ Yang, Huimin; Zhang, Xu; Zhang, Guiyang Chemical Communications, Vol. 54, Issue 35 https://doi.org/10.1039/C8CC01461B	journal	January 2018
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy Weigend, Florian; Ahlrichs, Reinhart Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305 https://doi.org/10.1039/b508541a	journal	January 2005
A novel method to measure diffusion coefficients in porous metal–organic frameworks Zybaylo, Olexandra; Shekhah, Osama; Wang, Hui Physical Chemistry Chemical Physics, Vol. 12, Issue 28 https://doi.org/10.1039/b927601g	journal	January 2010
Synthesis of cyclic carbonates from epoxides and CO2 North, Michael; Pasquale, Riccardo; Young, Carl Green Chemistry, Vol. 12, Issue 9 https://doi.org/10.1039/c0gc00065e	journal	January 2010
Adsorption and diffusion in thin films of nanoporous metal–organic frameworks: ferrocene in SURMOF Cu2(ndc)2(dabco) Heinke, Lars; Wöll, Christof Physical Chemistry Chemical Physics, Vol. 15, Issue 23 https://doi.org/10.1039/c3cp50578b	journal	January 2013
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions Zhao, Yan; Truhlar, Donald G. The Journal of Chemical Physics, Vol. 125, Issue 19, Article No. 194101 https://doi.org/10.1063/1.2370993	journal	November 2006
A versatile sample-environment cell for non-ambient X-ray scattering experiments Chupas, Peter J.; Chapman, Karena W.; Kurtz, Charles Journal of Applied Crystallography, Vol. 41, Issue 4 https://doi.org/10.1107/S0021889808020165	journal	July 2008
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Liquid- and Gas-Phase Diffusion of Ferrocene in Thin Films of Metal-Organic Frameworks Zhou, Wencai; Wöll, Christof; Heinke, Lars Materials, Vol. 8, Issue 6 https://doi.org/10.3390/ma8063767	journal	June 2015
Anthropogenic ocean acidification over the twenty-first century and its impact on calcifying organisms Orr, James C.; Fabry, Victoria J.; Aumont, Olivier Macmillan Journals Ltd. https://doi.org/10.48350/158217	text	January 2005
Liquid- and Gas-Phase Diffusion of Ferrocene in Thin Films of Metal-Organic Frameworks Zhou, Wencai; Wöll, Christof; Heinke, Lars Karlsruhe https://doi.org/10.5445/ir/1000048016	text	January 2015

Cited By (1)

Carbon capture and conversion using metal–organic frameworks and MOF-based materials Ding, Meili; Flaig, Robinson W.; Jiang, Hai-Long Chemical Society Reviews, Vol. 48, Issue 10 https://doi.org/10.1039/c8cs00829a	journal	January 2019

Similar Records

A New Class of Metal-Cyclam-Based Zirconium Metal–Organic Frameworks for CO₂ Adsorption and Chemical Fixation

Journal Article · 2017 · Journal of the American Chemical Society · OSTI ID:1421945

Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; +10 more

Tuning Internal Strain in Metal–Organic Frameworks via Vapor Phase Infiltration for CO₂ Reduction

Journal Article · 2020 · Angewandte Chemie (International Edition) · OSTI ID:1779238

Yang, Fan; Hu, Wenhui; Yang, Chongqing; +9 more

Using Active Learning to Rapidly Develop Machine Learned Diffusion Coefficients of CO₂ Conversion Reagents in Metal–Organic Frameworks

Journal Article · 2024 · Journal of Physical Chemistry. C · OSTI ID:2483451

Leverant, Calen J.; Cooper, John; Sava Gallis, Dorina F.; +1 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Title: Insights into CO2 adsorption and chemical fixation properties of VPI-100 metal–organic frameworks

Citation Formats

References (40)

Cited By (1)

Similar Records

Related Subjects

Title: Insights into CO₂ adsorption and chemical fixation properties of VPI-100 metal–organic frameworks