Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory

Lee, Jason S.; Vlaisavljevich, Bess; Britt, David K.; Brown, Craig M.; Haranczyk, Maciej; Neaton, Jeffrey B.; Smit, Berend; Long, Jeffrey R.; Queen, Wendy L.

doi:10.1002/adma.201500966

Title: Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory

Journal Article · Thu May 28 00:00:00 EDT 2015 · Advanced Materials

DOI:https://doi.org/10.1002/adma.201500966· OSTI ID:1387674

Lee, Jason S. ^[1]; Vlaisavljevich, Bess ^[2]; Britt, David K. ^[3]; Brown, Craig M. ^[4]; Haranczyk, Maciej ^[5]; Neaton, Jeffrey B. ^[6]; Smit, Berend ^[7]; Long, Jeffrey R. ^[8]; Queen, Wendy L. ^[9]

The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Department of Chemical and Biomolecular Engineering, University of California, Berkeley CA 94720 USA
Department of Chemical and Biomolecular Engineering, University of California, Berkeley CA 94720 USA
The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA
National Institute of Standards and Technology, Center for Neutron Research, Gaithersburg MD 20899 USA; Department of Chemical Engineering, University of Delaware, Newark DE 19716 USA
Computational Research Division Lawrence, Berkeley National Laboratory, Berkeley CA 94720 USA
The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Department of Physics, University of California, Berkeley CA 94720 USA
Department of Chemical and Biomolecular Engineering, University of California, Berkeley CA 94720 USA; Department Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 CH Lausanne Switzerland
Department of Chemistry, University of California, Berkeley CA 94720 USA; Division of Materials Sciences, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA
The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Department Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 CH Lausanne Switzerland

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)

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

DOE Contract Number:: SC0001015

OSTI ID:: 1387674

Journal Information:: Advanced Materials, Vol. 27, Issue 38; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University; ISSN 0935-9648

Publisher:: Wiley

Country of Publication:: United States

Language:: English

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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
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Structural characterization of framework–gas interactions in the metal–organic framework Co ₂ (dobdc) by in situ single-crystal X-ray diffraction Gonzalez, Miguel I.; Mason, Jarad A.; Bloch, Eric D. Chemical Science, Vol. 8, Issue 6 https://doi.org/10.1039/c7sc00449d	journal	January 2017
An indium–organic framework for the efficient storage of light hydrocarbons and selective removal of organic dyes Huang, Pan; Chen, Cheng; Wu, Mingyan Dalton Transactions, Vol. 48, Issue 17 https://doi.org/10.1039/c9dt00902g	journal	January 2019
A Reversible Phase Transition of 2D Coordination Layers by B–H∙∙∙Cu(II) Interactions in a Coordination Polymer Gan, Lei; Fonquernie, Pol G.; Light, Mark E. Molecules, Vol. 24, Issue 17 https://doi.org/10.3390/molecules24173204	journal	September 2019
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M ₂ (dobdc) Metal–Organic Frameworks Vlaisavljevich, Bess; Huck, Johanna; Hulvey, Zeric The Journal of Physical Chemistry A, Vol. 121, Issue 21 https://doi.org/10.1021/acs.jpca.7b00076	journal	May 2017

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