Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Structural characterization of framework–gas interactions in the metal–organic framework Co2 (dobdc) by in situ single-crystal X-ray diffraction

Abstract

The crystallographic characterization of framework–guest interactions in metal–organic frameworks allows the location of guest binding sites and provides meaningful information on the nature of these interactions, enabling the correlation of structure with adsorption behavior. Here, techniques developed for in situ single-crystal X-ray diffraction experiments on porous crystals have enabled the direct observation of CO, CH4, N2, O2, Ar, and P4 adsorption in Co2(dobdc) (dobdc4– = 2,5-dioxido-1,4-benzenedicarboxylate), a metal–organic framework bearing coordinatively unsaturated cobalt(II) sites. All these molecules exhibit such weak interactions with the high-spin cobalt(II) sites in the framework that no analogous molecular structures exist, demonstrating the utility of metal–organic frameworks as crystalline matrices for the isolation and structural determination of unstable species. Notably, the Co–CH4 and Co–Ar interactions observed in Co2(dobdc) represent, to the best of our knowledge, the first single-crystal structure determination of a metal–CH4 interaction and the first crystallographically characterized metal–Ar interaction. Analysis of low-pressure gas adsorption isotherms confirms that these gases exhibit mainly physisorptive interactions with the cobalt(II) sites in Co2(dobdc), with differential enthalpies of adsorption as weak as –17(1) kJ mol–1 (for Ar). Moreover, the structures of Co2(dobdc)·3.8N2, Co2(dobdc)·5.9O2, and Co2(dobdc)·2.0Ar reveal the location of secondary (N2, O2, and Ar) and tertiary (O2) binding sitesmore » in Co2(dobdc), while high-pressure CO2, CO, CH4, N2, and Ar adsorption isotherms show that these binding sites become more relevant at elevated pressures.« less

Authors:
ORCiD logo [1];  [1];  [1];  [2];  [2];  [2]; ORCiD logo [3]; ORCiD logo [4]
+ Show Author Affiliations
  1. Univ. of California, Berkeley, CA (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Ecole Polytechnique Federale de Lausanne (EPFL), Sion (Switzerland)
  4. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1379647
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Chemical Science
Additional Journal Information:
Journal Volume: 8; Journal Issue: 6; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Gonzalez, Miguel I., Mason, Jarad A., Bloch, Eric D., Teat, Simon J., Gagnon, Kevin J., Morrison, Gregory Y., Queen, Wendy L., and Long, Jeffrey R. Structural characterization of framework–gas interactions in the metal–organic framework Co2 (dobdc) by in situ single-crystal X-ray diffraction. United States: N. p., 2017. Web. doi:10.1039/c7sc00449d.
Copy to clipboard
Gonzalez, Miguel I., Mason, Jarad A., Bloch, Eric D., Teat, Simon J., Gagnon, Kevin J., Morrison, Gregory Y., Queen, Wendy L., & Long, Jeffrey R. Structural characterization of framework–gas interactions in the metal–organic framework Co2 (dobdc) by in situ single-crystal X-ray diffraction. United States. https://doi.org/10.1039/c7sc00449d
Copy to clipboard
Gonzalez, Miguel I., Mason, Jarad A., Bloch, Eric D., Teat, Simon J., Gagnon, Kevin J., Morrison, Gregory Y., Queen, Wendy L., and Long, Jeffrey R. Wed . "Structural characterization of framework–gas interactions in the metal–organic framework Co2 (dobdc) by in situ single-crystal X-ray diffraction". United States. https://doi.org/10.1039/c7sc00449d. https://www.osti.gov/servlets/purl/1379647.
Copy to clipboard
@article{osti_1379647,
title = {Structural characterization of framework–gas interactions in the metal–organic framework Co2 (dobdc) by in situ single-crystal X-ray diffraction},
author = {Gonzalez, Miguel I. and Mason, Jarad A. and Bloch, Eric D. and Teat, Simon J. and Gagnon, Kevin J. and Morrison, Gregory Y. and Queen, Wendy L. and Long, Jeffrey R.},
abstractNote = {The crystallographic characterization of framework–guest interactions in metal–organic frameworks allows the location of guest binding sites and provides meaningful information on the nature of these interactions, enabling the correlation of structure with adsorption behavior. Here, techniques developed for in situ single-crystal X-ray diffraction experiments on porous crystals have enabled the direct observation of CO, CH4, N2, O2, Ar, and P4 adsorption in Co2(dobdc) (dobdc4– = 2,5-dioxido-1,4-benzenedicarboxylate), a metal–organic framework bearing coordinatively unsaturated cobalt(II) sites. All these molecules exhibit such weak interactions with the high-spin cobalt(II) sites in the framework that no analogous molecular structures exist, demonstrating the utility of metal–organic frameworks as crystalline matrices for the isolation and structural determination of unstable species. Notably, the Co–CH4 and Co–Ar interactions observed in Co2(dobdc) represent, to the best of our knowledge, the first single-crystal structure determination of a metal–CH4 interaction and the first crystallographically characterized metal–Ar interaction. Analysis of low-pressure gas adsorption isotherms confirms that these gases exhibit mainly physisorptive interactions with the cobalt(II) sites in Co2(dobdc), with differential enthalpies of adsorption as weak as –17(1) kJ mol–1 (for Ar). Moreover, the structures of Co2(dobdc)·3.8N2, Co2(dobdc)·5.9O2, and Co2(dobdc)·2.0Ar reveal the location of secondary (N2, O2, and Ar) and tertiary (O2) binding sites in Co2(dobdc), while high-pressure CO2, CO, CH4, N2, and Ar adsorption isotherms show that these binding sites become more relevant at elevated pressures.},
doi = {10.1039/c7sc00449d},
journal = {Chemical Science},
number = 6,
volume = 8,
place = {United States},
year = {Wed Apr 19 00:00:00 EDT 2017},
month = {Wed Apr 19 00:00:00 EDT 2017}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/c7sc00449d
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 63 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Synthesis and Structural Characterization of Cobalt, Nickel and Copper Phosphanylthiolato Complexes
journal, February 2010

  • Fernández, Patricia; Sousa-Pedrares, Antonio; Romero, Jaime
  • European Journal of Inorganic Chemistry, Vol. 2010, Issue 5
  • DOI: 10.1002/ejic.200900941

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

Double Single-Crystal-to-Single-Crystal Transformation and Small-Molecule Activation in Rhodium NHC Complexes
journal, July 2011

  • Zenkina, Olena V.; Keske, Eric C.; Wang, Ruiyao
  • Angewandte Chemie International Edition, Vol. 50, Issue 35
  • DOI: 10.1002/anie.201103316

M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal–Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites
journal, August 2014

  • Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.
  • Journal of the American Chemical Society, Vol. 136, Issue 34, p. 12119-12129
  • DOI: 10.1021/ja506230r

Paramagnetic carbonyl cobalt(II) complexes. Molecular structure of bromocarbonyl-1,1,1-tris(diphenylphosphinomethyl)ethanecobalt(II) tetraphenylborate
journal, February 1980

An In Situ High-Temperature Single-Crystal Investigation of a Dehydrated Metal-Organic Framework Compound and Field-Induced Magnetization of One-Dimensional Metal-Oxygen Chains
journal, October 2005

  • Dietzel, Pascal D. C.; Morita, Yusuke; Blom, Richard
  • Angewandte Chemie International Edition, Vol. 44, Issue 39, p. 6354-6358
  • DOI: 10.1002/anie.200501508

Small-Molecule Adsorption in Open-Site Metal–Organic Frameworks: A Systematic Density Functional Theory Study for Rational Design
journal, January 2015

  • Lee, Kyuho; Howe, Joshua D.; Lin, Li-Chiang
  • Chemistry of Materials, Vol. 27, Issue 3, p. 668-678
  • DOI: 10.1021/cm502760q

Oxidation of ethane to ethanol by N2O in a metal–organic framework with coordinatively unsaturated iron(II) sites
journal, May 2014

  • Xiao, Dianne J.; Bloch, Eric D.; Mason, Jarad A.
  • Nature Chemistry, Vol. 6, Issue 7
  • DOI: 10.1038/nchem.1956

Hydrogen storage in metal–organic frameworks
journal, January 2009

  • Murray, Leslie J.; Dincă, Mircea; Long, Jeffrey R.
  • Chemical Society Reviews, Vol. 38, Issue 5, p. 1294-1314
  • DOI: 10.1039/b802256a

Selective Binding of O 2 over N 2 in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites
journal, September 2011

  • Bloch, Eric D.; Murray, Leslie J.; Queen, Wendy L.
  • Journal of the American Chemical Society, Vol. 133, Issue 37
  • DOI: 10.1021/ja205976v

OLEX2 : a complete structure solution, refinement and analysis program
journal, January 2009

  • Dolomanov, Oleg V.; Bourhis, Luc J.; Gildea, Richard J.
  • Journal of Applied Crystallography, Vol. 42, Issue 2
  • DOI: 10.1107/S0021889808042726

Ligand exchanges and selective catalytic hydrogenation in molecular single crystals
journal, June 2010

  • Huang, Zheng; White, Peter S.; Brookhart, Maurice
  • Nature, Vol. 465, Issue 7298
  • DOI: 10.1038/nature09085

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

White Phosphorus Is Air-Stable Within a Self-Assembled Tetrahedral Capsule
journal, June 2009

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

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

Water Adsorption in Porous Metal–Organic Frameworks and Related Materials
journal, March 2014

  • Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao
  • Journal of the American Chemical Society, Vol. 136, Issue 11, p. 4369-4381
  • DOI: 10.1021/ja500330a

Organoplatinum crystals for gas-triggered switches
journal, August 2000

  • Albrecht, Martin; Lutz, Martin; Spek, Anthony L.
  • Nature, Vol. 406, Issue 6799
  • DOI: 10.1038/35023107

Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework
journal, January 2003

  • Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo
  • CrystEngComm, Vol. 5, Issue 72
  • DOI: 10.1039/b312553j

Photochemistry of the Group 6 hexacarbonyls in low-temperature matrices. III. Interaction of the pentacarbonyls with noble gases and other matrices
journal, August 1975

  • Perutz, Robin N.; Turner, James J.
  • Journal of the American Chemical Society, Vol. 97, Issue 17
  • DOI: 10.1021/ja00850a001

Increasing the Density of Adsorbed Hydrogen with Coordinatively Unsaturated Metal Centers in Metal−Organic Frameworks
journal, May 2008

  • Liu, Yun; Kabbour, Houria; Brown, Craig M.
  • Langmuir, Vol. 24, Issue 9
  • DOI: 10.1021/la703864a

Selective, Tunable O 2 Binding in Cobalt(II)–Triazolate/Pyrazolate Metal–Organic Frameworks
journal, May 2016

  • Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.
  • Journal of the American Chemical Society, Vol. 138, Issue 22
  • DOI: 10.1021/jacs.6b03680

The continuing story of dinitrogen activation
journal, May 2000

Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites
journal, March 2012

Consecutive Molecular Crystalline-State Reactions with Metal Complexes
journal, October 2011

  • van der Boom, Milko E.
  • Angewandte Chemie International Edition, Vol. 50, Issue 50
  • DOI: 10.1002/anie.201105940

Neutron Scattering and Spectroscopic Studies of Hydrogen Adsorption in Cr 3 (BTC) 2 —A Metal−Organic Framework with Exposed Cr 2+ Sites
journal, March 2011

  • Sumida, Kenji; Her, Jae-Hyuk; Dincă, Mircea
  • The Journal of Physical Chemistry C, Vol. 115, Issue 16
  • DOI: 10.1021/jp200638n

Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation
journal, January 2014

  • Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.
  • Chem. Sci., Vol. 5, Issue 10
  • DOI: 10.1039/C4SC01636J

Infrared Spectroscopy of Cr + (H 2 O) and Cr 2+ (H 2 O): The Role of Charge in Cation Hydration
journal, July 2008

  • Carnegie, P. D.; Bandyopadhyay, B.; Duncan, M. A.
  • The Journal of Physical Chemistry A, Vol. 112, Issue 28
  • DOI: 10.1021/jp803086v

Enhanced H2 Adsorption in Isostructural Metal−Organic Frameworks with Open Metal Sites: Strong Dependence of the Binding Strength on Metal Ions
journal, November 2008

  • Zhou, Wei; Wu, Hui; Yildirim, Taner
  • Journal of the American Chemical Society, Vol. 130, Issue 46, p. 15268-15269
  • DOI: 10.1021/ja807023q

Coordination chemistry and functionalization of white phosphorus via transition metal complexes
journal, January 2005

  • Peruzzini, Maurizio; Gonsalvi, Luca; Romerosa, Antonio
  • Chemical Society Reviews, Vol. 34, Issue 12
  • DOI: 10.1039/b510917e

Metal-Xenon Complexes
journal, December 2003

  • Seppelt, Konrad
  • Zeitschrift für anorganische und allgemeine Chemie, Vol. 629, Issue 14
  • DOI: 10.1002/zaac.200300226

High-Capacity Methane Storage in Metal−Organic Frameworks M 2 (dhtp): The Important Role of Open Metal Sites
journal, April 2009

  • Wu, Hui; Zhou, Wei; Yildirim, Taner
  • Journal of the American Chemical Society, Vol. 131, Issue 13
  • DOI: 10.1021/ja900258t

Short Fundamental Equations of State for 20 Industrial Fluids
journal, May 2006

  • Lemmon, Eric W.; Span, Roland
  • Journal of Chemical & Engineering Data, Vol. 51, Issue 3
  • DOI: 10.1021/je050186n

Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)–Triazolate Metal–Organic Framework
journal, April 2016

  • Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.
  • Journal of the American Chemical Society, Vol. 138, Issue 17
  • DOI: 10.1021/jacs.6b00248

Postsynthetic Methods for the Functionalization of Metal–Organic Frameworks
journal, September 2011

  • Cohen, Seth M.
  • Chemical Reviews, Vol. 112, Issue 2, p. 970-1000
  • DOI: 10.1021/cr200179u

Highly-Selective and Reversible O2 Binding in Cr3(1,3,5-benzenetricarboxylate)2
journal, June 2010

  • Murray, Leslie J.; Dinca, Mircea; Yano, Junko
  • Journal of the American Chemical Society, Vol. 132, Issue 23, p. 7856-7857
  • DOI: 10.1021/ja1027925

Effects of Polarizability on the Adsorption of Noble Gases at Low Pressures in Monohalogenated Isoreticular Metal–Organic Frameworks
journal, September 2012

  • Meek, Scott T.; Teich-McGoldrick, Stephanie L.; Perry, John J.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 37
  • DOI: 10.1021/jp303274m

Storage of Methane and Freon by Interstitial van der Waals Confinement
journal, May 2002

  • Atwood, Jerry L.; Barbour, Leonard J.; Jerga, Agoston
  • Science, Vol. 296, Issue 5577, p. 2367-2369
  • DOI: 10.1126/science.1072252

A Five-Coordinate Heme Dioxygen Adduct Isolated within a Metal–Organic Framework
journal, November 2014

  • Anderson, John S.; Gallagher, Audrey T.; Mason, Jarad A.
  • Journal of the American Chemical Society, Vol. 136, Issue 47
  • DOI: 10.1021/ja5103103

Crystalline molecular flasks
journal, April 2011

  • Inokuma, Yasuhide; Kawano, Masaki; Fujita, Makoto
  • Nature Chemistry, Vol. 3, Issue 5
  • DOI: 10.1038/nchem.1031

Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe 2
journal, March 2016

  • Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.
  • Journal of the American Chemical Society, Vol. 138, Issue 13
  • DOI: 10.1021/jacs.5b11395

Synthesis and Characterization of a Rhodium(I)  -Alkane Complex in the Solid State
journal, August 2012

Understanding the Adsorption Mechanism of Xe and Kr in a Metal–Organic Framework from X-ray Structural Analysis and First-Principles Calculations
journal, April 2015

  • Ghose, Sanjit K.; Li, Yan; Yakovenko, Andrey
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 10
  • DOI: 10.1021/acs.jpclett.5b00440

Dinitrogen Coordination Chemistry:  On the Biomimetic Borderlands
journal, February 2004

  • MacKay, Bruce A.; Fryzuk, Michael D.
  • Chemical Reviews, Vol. 104, Issue 2
  • DOI: 10.1021/cr020610c

Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory
journal, May 2015

  • Lee, Jason S.; Vlaisavljevich, Bess; Britt, David K.
  • Advanced Materials, Vol. 27, Issue 38
  • DOI: 10.1002/adma.201500966

Self-assembled organoplatinum(II) supermolecules as crystalline, SO2 gas-triggered switches †
journal, January 2000

  • Albrecht, Martin; Lutz, Martin; Schreurs, Antoine M. M.
  • Journal of the Chemical Society, Dalton Transactions, Issue 21
  • DOI: 10.1039/b006419j

Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N 2 and CH 4
journal, December 2013

  • Lee, Kyuho; Isley, William C.; Dzubak, Allison L.
  • Journal of the American Chemical Society, Vol. 136, Issue 2
  • DOI: 10.1021/ja4102979

Hydrogen adsorption in a nickel based coordination polymer with open metal sites in the cylindrical cavities of the desolvated framework
journal, January 2006

  • Dietzel, Pascal D. C.; Panella, Barbara; Hirscher, Michael
  • Chemical Communications, Issue 9
  • DOI: 10.1039/b515434k

Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal–Organic Framework
journal, May 2015

  • Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis
  • Journal of the American Chemical Society, Vol. 137, Issue 22
  • DOI: 10.1021/jacs.5b02556

Thermodynamics of oxygen binding in natural and synthetic dioxygen complexes
journal, April 1984

  • Niederhoffer, Eric C.; Timmons, James H.; Martell, Arthur E.
  • Chemical Reviews, Vol. 84, Issue 2
  • DOI: 10.1021/cr00060a003

Toward “metalloMOFzymes”: Metal–Organic Frameworks with Single-Site Metal Catalysts for Small-Molecule Transformations
journal, May 2016

Hydrogen Storage in the Expanded Pore Metal–Organic Frameworks M 2 (dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
journal, February 2016

Gas Adsorption Sites in a Large-Pore Metal-Organic Framework
journal, August 2005

  • Rowsell, Jesse L. C.; Spencer, Elinor C.; Eckert, Juergen
  • Science, Vol. 309, Issue 5739, p. 1350-1354
  • DOI: 10.1126/science.1113247

A versatile environmental control cell for in situ guest exchange single-crystal diffraction
journal, March 2015

  • Cox, Jordan M.; Walton, Ian M.; Benson, Cassidy A.
  • Journal of Applied Crystallography, Vol. 48, Issue 2
  • DOI: 10.1107/S160057671500432X

Nature of the bound oxygen in a series of cobalt dioxygen adducts
journal, August 1976

  • Tovrog, Benjamin S.; Kitko, David J.; Drago, Russell S.
  • Journal of the American Chemical Society, Vol. 98, Issue 17
  • DOI: 10.1021/ja00433a016

Neutral Cobalt−Carbonyl Bond Energy by Combined Threshold Photoelectron Photoion Coincidence and He(I) Photoelectron Spectroscopy
journal, November 2003

  • Sztáray, Bálint; Szepes, László; Baer, Tomas
  • The Journal of Physical Chemistry A, Vol. 107, Issue 44
  • DOI: 10.1021/jp035965u

Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal–organic framework: structural, EPR, and O 2 adsorption analysis
journal, January 2016

  • Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.
  • Inorganic Chemistry Frontiers, Vol. 3, Issue 4
  • DOI: 10.1039/C5QI00275C

Safe P 4 reagent in a reusable porous coordination network
journal, January 2016

  • Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka
  • Dalton Transactions, Vol. 45, Issue 15
  • DOI: 10.1039/C6DT00860G

A prototype environmental gas cell for in situ small-molecule X-ray diffraction
journal, April 2009

  • Warren, John E.; Pritchard, Robin G.; Abram, Don
  • Journal of Applied Crystallography, Vol. 42, Issue 3
  • DOI: 10.1107/S0021889809010036

Understanding the adsorption mechanism of noble gases Kr and Xe in CPO-27-Ni, CPO-27-Mg, and ZIF-8
journal, January 2014

  • Magdysyuk, O. V.; Adams, F.; Liermann, H. -P.
  • Phys. Chem. Chem. Phys., Vol. 16, Issue 43
  • DOI: 10.1039/C4CP03298E

Organometallic synthesis, reactivity and catalysis in the solid state using well-defined single-site species
journal, March 2015

  • Pike, Sebastian D.; Weller, Andrew S.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 373, Issue 2037
  • DOI: 10.1098/rsta.2014.0187

A Rhodium-Pentane Sigma-Alkane Complex: Characterization in the Solid State by Experimental and Computational Techniques
journal, February 2016

  • Chadwick, F. Mark; Rees, Nicholas H.; Weller, Andrew S.
  • Angewandte Chemie International Edition, Vol. 55, Issue 11
  • DOI: 10.1002/anie.201511269

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

Atypical compounds of gases, which have been called ‘noble’
journal, January 2007

  • Grochala, Wojciech
  • Chemical Society Reviews, Vol. 36, Issue 10
  • DOI: 10.1039/b702109g

A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO 2 Removal and Air Capture Using Physisorption
journal, July 2016

  • Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine
  • Journal of the American Chemical Society, Vol. 138, Issue 29
  • DOI: 10.1021/jacs.6b05345

Engineering Metal Organic Frameworks for Heterogeneous Catalysis
journal, August 2010

  • Corma, A.; García, H.; Llabrés i Xamena, F. X.
  • Chemical Reviews, Vol. 110, Issue 8, p. 4606-4655
  • DOI: 10.1021/cr9003924

Gradual Release of Strongly Bound Nitric Oxide from Fe 2 (NO) 2 (dobdc)
journal, March 2015

  • Bloch, Eric D.; Queen, Wendy L.; Chavan, Sachin
  • Journal of the American Chemical Society, Vol. 137, Issue 10
  • DOI: 10.1021/ja5132243

Metal-Organic Frameworks for Oxygen Storage
journal, October 2014

  • DeCoste, Jared B.; Weston, Mitchell H.; Fuller, Patrick E.
  • Angewandte Chemie International Edition, Vol. 53, Issue 51
  • DOI: 10.1002/anie.201408464

Functional Molecular Flasks: New Properties and Reactions within Discrete, Self-Assembled Hosts
journal, April 2009

  • Yoshizawa, Michito; Klosterman, Jeremy K.; Fujita, Makoto
  • Angewandte Chemie International Edition, Vol. 48, Issue 19, p. 3418-3438
  • DOI: 10.1002/anie.200805340

Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M 2 (dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
journal, January 2014

  • Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.
  • Chem. Sci., Vol. 5, Issue 12
  • DOI: 10.1039/C4SC02064B

Infrared Spectroscopy of Mn + (H 2 O) and Mn 2+ (H 2 O) via Argon Complex Predissociation
journal, July 2011

  • Carnegie, P. D.; Bandyopadhyay, B.; Duncan, M. A.
  • The Journal of Physical Chemistry A, Vol. 115, Issue 26
  • DOI: 10.1021/jp203501n

Asymmetric Catalysis with Chiral Porous Metal–Organic Frameworks: Critical Issues
journal, June 2011

  • Wang, Cheng; Zheng, Min; Lin, Wenbin
  • The Journal of Physical Chemistry Letters, Vol. 2, Issue 14
  • DOI: 10.1021/jz200492d

Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal–Organic Frameworks
journal, June 2016

  • Mercado, Rocio; Vlaisavljevich, Bess; Lin, Li-Chiang
  • The Journal of Physical Chemistry C, Vol. 120, Issue 23
  • DOI: 10.1021/acs.jpcc.6b03393

Reversible CO Binding Enables Tunable CO/H 2 and CO/N 2 Separations in Metal–Organic Frameworks with Exposed Divalent Metal Cations
journal, July 2014

  • Bloch, Eric D.; Hudson, Matthew R.; Mason, Jarad A.
  • Journal of the American Chemical Society, Vol. 136, Issue 30
  • DOI: 10.1021/ja505318p

Capturing snapshots of post-synthetic metallation chemistry in metal–organic frameworks
journal, September 2014

  • Bloch, Witold M.; Burgun, Alexandre; Coghlan, Campbell J.
  • Nature Chemistry, Vol. 6, Issue 10
  • DOI: 10.1038/nchem.2045

SYNTHESIS AND STRUCTURAL PROPERTIES OF MONONUCLEAR TRANSITION METAL COMPLEXES CONTAINING NAKED TETRAPHOSPHORUS, P<SUB>4</SUB>, UNITS AS LIGAND
journal, January 2001

  • Luis, Pablo Lorenzo; De Los Rios, Isaac; Peruzzini, Maurizio
  • Phosphorus Research Bulletin, Vol. 12, Issue 0
  • DOI: 10.3363/prb1992.12.0_167

Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks
journal, January 2017

  • Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.
  • Chemical Science, Vol. 8, Issue 3
  • DOI: 10.1039/C6SC05012C

Interaction of hydrogen with accessible metal sites in the metal–organic frameworks M2(dhtp) (CPO-27-M; M = Ni, Co, Mg)
journal, January 2010

  • Dietzel, Pascal D. C.; Georgiev, Peter A.; Eckert, Juergen
  • Chemical Communications, Vol. 46, Issue 27
  • DOI: 10.1039/c0cc00091d

Infrared spectroscopy of V2+(H2O) complexes
journal, March 2012

Hydrogen adsorption in the metal–organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc)
journal, January 2012

  • Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.
  • Dalton Transactions, Vol. 41, Issue 14
  • DOI: 10.1039/c2dt12138g

Single-Crystal-to-Single-Crystal Metalation of a Metal–Organic Framework: A Route toward Structurally Well-Defined Catalysts
journal, February 2015

Force-Field Development from Electronic Structure Calculations with Periodic Boundary Conditions: Applications to Gaseous Adsorption and Transport in Metal–Organic Frameworks
journal, March 2014

  • Lin, Li-Chiang; Lee, Kyuho; Gagliardi, Laura
  • Journal of Chemical Theory and Computation, Vol. 10, Issue 4
  • DOI: 10.1021/ct500094w

Enantioselective catalysis with homochiral metal–organic frameworks
journal, January 2009

  • Ma, Liqing; Abney, Carter; Lin, Wenbin
  • Chemical Society Reviews, Vol. 38, Issue 5, p. 1248-1256
  • DOI: 10.1039/b807083k

Definitive Molecular Level Characterization of Defects in UiO-66 Crystals
journal, August 2015

  • Trickett, Christopher A.; Gagnon, Kevin J.; Lee, Seungkyu
  • Angewandte Chemie International Edition, Vol. 54, Issue 38
  • DOI: 10.1002/anie.201505461

Selective adsorption of ethylene over ethane and propylene over propane in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
journal, January 2013

  • Geier, Stephen J.; Mason, Jarad A.; Bloch, Eric D.
  • Chemical Science, Vol. 4, Issue 5
  • DOI: 10.1039/c3sc00032j

Gas-Conforming Transformability of an Ionic Single-Crystal Host Consisting of Discrete Charged Components
journal, February 2008

  • Takamizawa, Satoshi; Akatsuka, Takamasa; Ueda, Takahiro
  • Angewandte Chemie International Edition, Vol. 47, Issue 9
  • DOI: 10.1002/anie.200702950

X-ray Crystallography in Open-Framework Materials
journal, September 2015

  • Bloch, Witold M.; Champness, Neil R.; Doonan, Christian J.
  • Angewandte Chemie International Edition, Vol. 54, Issue 44
  • DOI: 10.1002/anie.201501545

A short history of SHELX
journal, December 2007

  • Sheldrick, George M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
  • DOI: 10.1107/S0108767307043930

Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal–organic framework (Fe-BTT) discovered via high-throughput methods
journal, January 2010

  • Sumida, Kenji; Horike, Satoshi; Kaye, Steven S.
  • Chemical Science, Vol. 1, Issue 2, p. 184-191
  • DOI: 10.1039/c0sc00179a

Critical Factors Driving the High Volumetric Uptake of Methane in Cu 3 (btc) 2
journal, August 2015

  • Hulvey, Zeric; Vlaisavljevich, Bess; Mason, Jarad A.
  • Journal of the American Chemical Society, Vol. 137, Issue 33
  • DOI: 10.1021/jacs.5b06657

Resonant photodissociation of CoAr + and CoKr + : Analysis of vibrational structure
journal, June 1989

  • Lessen, Dan; Brucat, P. J.
  • The Journal of Chemical Physics, Vol. 90, Issue 11
  • DOI: 10.1063/1.456346

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
journal, March 2015

  • McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian
  • Nature, Vol. 519, Issue 7543
  • DOI: 10.1038/nature14327

Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L 2 )(η 2 ,η 2 -C 7 H 12 )][BAr F 4 ] (L 2 = Bidentate Chelating Phosphine)
journal, January 2015

  • Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.
  • Journal of the American Chemical Society, Vol. 137, Issue 2
  • DOI: 10.1021/ja510437p

Exceptional Behavior over the Whole Adsorption−Storage−Delivery Cycle for NO in Porous Metal Organic Frameworks
journal, August 2008

  • McKinlay, Alistair C.; Xiao, Bo; Wragg, David S.
  • Journal of the American Chemical Society, Vol. 130, Issue 31
  • DOI: 10.1021/ja801997r

Single-Crystal to Single-Crystal Mechanical Contraction of Metal–Organic Frameworks through Stereoselective Postsynthetic Bromination
journal, July 2015

  • Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire
  • Journal of the American Chemical Society, Vol. 137, Issue 30
  • DOI: 10.1021/jacs.5b05434

Reactivity of Dinitrogen Bound to Mid- and Late-Transition-Metal Centers: Dinitrogen Bound to Mid- and Late-Transition Metal Centers
journal, January 2015

  • Khoenkhoen, Nitesh; de Bruin, Bas; Reek, Joost N. H.
  • European Journal of Inorganic Chemistry, Vol. 2015, Issue 4
  • DOI: 10.1002/ejic.201403041

Double Single-Crystal-to-Single-Crystal Transformation and Small-Molecule Activation in Rhodium NHC Complexes
journal, July 2011

  • Zenkina, Olena V.; Keske, Eric C.; Wang, Ruiyao
  • Angewandte Chemie, Vol. 123, Issue 35
  • DOI: 10.1002/ange.201103316

Gas-Conforming Transformability of an Ionic Single-Crystal Host Consisting of Discrete Charged Components
journal, February 2008

  • Takamizawa, Satoshi; Akatsuka, Takamasa; Ueda, Takahiro
  • Angewandte Chemie, Vol. 120, Issue 9
  • DOI: 10.1002/ange.200702950

Definitive Molecular Level Characterization of Defects in UiO-66 Crystals
journal, August 2015

  • Trickett, Christopher A.; Gagnon, Kevin J.; Lee, Seungkyu
  • Angewandte Chemie, Vol. 127, Issue 38
  • DOI: 10.1002/ange.201505461

Coordination Chemistry and Functionalization of White Phosphorus via Transition Metal Complexes
journal, March 2006

  • Peruzzini, Maurizio; Gonsalvi, Luca; Romerosa, Antonio
  • ChemInform, Vol. 37, Issue 11
  • DOI: 10.1002/chin.200611247

Metal-Organic Frameworks for Oxygen Storage
journal, October 2014

  • DeCoste, Jared B.; Weston, Mitchell H.; Fuller, Patrick E.
  • Angewandte Chemie, Vol. 126, Issue 51
  • DOI: 10.1002/ange.201408464

A Rhodium-Pentane Sigma-Alkane Complex: Characterization in the Solid State by Experimental and Computational Techniques
journal, February 2016

  • Chadwick, F. Mark; Rees, Nicholas H.; Weller, Andrew S.
  • Angewandte Chemie, Vol. 128, Issue 11
  • DOI: 10.1002/ange.201511269

Metal-Xenon Complexes
journal, March 2004

Atypical Compounds of Gases, which Have Been Called “Noble”
journal, December 2007

    Sort by:
    [ × clear filter / sort ]

    Works referencing / citing this record:

    Tuning Expanded Pores in Metal-Organic Frameworks for Selective Capture and Catalytic Conversion of Carbon Dioxide
    journal, October 2018

    Cooperative adsorption of carbon disulfide in diamine-appended metal–organic frameworks
    journal, December 2018

    • McGuirk, C. Michael; Siegelman, Rebecca L.; Drisdell, Walter S.
    • Nature Communications, Vol. 9, Issue 1
    • DOI: 10.1038/s41467-018-07458-6

    Negative cooperativity upon hydrogen bond-stabilized O2 adsorption in a redox-active metal–organic framework
    journal, June 2020

    Selective nitrogen adsorption via backbonding in a metal–organic framework with exposed vanadium sites
    journal, February 2020

    • Jaramillo, David E.; Reed, Douglas A.; Jiang, Henry Z. H.
    • Nature Materials, Vol. 19, Issue 5
    • DOI: 10.1038/s41563-019-0597-8

    On the elusive nature of oxygen binding at coordinatively unsaturated 3d transition metal centers in metal–organic frameworks
    journal, January 2017

    • Rosnes, Mali H.; Sheptyakov, Denis; Franz, Alexandra
    • Physical Chemistry Chemical Physics, Vol. 19, Issue 38
    • DOI: 10.1039/c7cp05119k

    Neutron diffraction structural study of CO 2 binding in mixed-metal CPM-200 metal–organic frameworks
    journal, January 2020

    • Campanella, Anthony J.; Trump, Benjamin A.; Gosselin, Eric J.
    • Chemical Communications, Vol. 56, Issue 17
    • DOI: 10.1039/c9cc09904b

    Reversible Encapsulation of Xenon and CH 2 Cl 2 in a Solid‐State Molecular Organometallic Framework (Guest@SMOM)
    journal, November 2019

    • Martínez‐Martínez, Antonio J.; Rees, Nicholas H.; Weller, Andrew S.
    • Angewandte Chemie, Vol. 131, Issue 47
    • DOI: 10.1002/ange.201910539

    A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release
    journal, January 2019

    • Henkelis, Susan E.; Vornholt, Simon M.; Cordes, David B.
    • CrystEngComm, Vol. 21, Issue 12
    • DOI: 10.1039/c9ce00098d

    Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal–organic framework
    journal, January 2020

    • Zee, David Z.; Harris, T. David
    • Chemical Science, Vol. 11, Issue 21
    • DOI: 10.1039/d0sc01796e

    Porous organic polymers based on cobalt corroles for carbon monoxide binding
    journal, January 2019

    • Brandès, Stéphane; Quesneau, Valentin; Fonquernie, Osian
    • Dalton Transactions, Vol. 48, Issue 31
    • DOI: 10.1039/c9dt01599j

    Reversible Encapsulation of Xenon and CH 2 Cl 2 in a Solid-State Molecular Organometallic Framework (Guest@SMOM)
    journal, October 2019

    • Martínez-Martínez, Antonio J.; Rees, Nicholas H.; Weller, Andrew S.
    • Angewandte Chemie International Edition, Vol. 58, Issue 47
    • DOI: 10.1002/anie.201910539
      Sort by:
      [ × clear filter / sort ]

      Similar Records in DOE PAGES and OSTI.GOV collections:

      Other research related to this record: