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

Title: Gate-opening effect in ZIF-8: the first experimental proof using inelastic neutron scattering

Abstract

In order to understand the behavior of industrial molecular separations, the gate-opening phenomenon in ZIFs are of paramount importance. We show for the first time using in situ inelastic neutron scattering (INS) the swinging of the -CH3 groups and the imidazolate linkers in the prototypical ZIF-8 and ZIF-8@AC hybrid materials upon exposure to mild N2 pressure.

Authors:
 [1];  [2];  [2];  [3];  [1];  [2];  [1]
  1. Univ. of Alicante, San Vicente del Raspeig (Spain). Univ. Inst. of Materials.
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
  3. Univ. of Cambridge (United Kingdom). Dept. of Chemcial Engineering and Biotechnology
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1342663
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
ChemComm
Additional Journal Information:
Journal Volume: 52; Journal Issue: 18; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Casco, M. E., Cheng, Y. Q., Daemen, L. L., Fairen-Jimenez, D., Ramos-Fernández, E. V., Ramirez-Cuesta, A. J., and Silvestre-Albero, J. Gate-opening effect in ZIF-8: the first experimental proof using inelastic neutron scattering. United States: N. p., 2016. Web. doi:10.1039/C5CC10222G.
Casco, M. E., Cheng, Y. Q., Daemen, L. L., Fairen-Jimenez, D., Ramos-Fernández, E. V., Ramirez-Cuesta, A. J., & Silvestre-Albero, J. Gate-opening effect in ZIF-8: the first experimental proof using inelastic neutron scattering. United States. https://doi.org/10.1039/C5CC10222G
Casco, M. E., Cheng, Y. Q., Daemen, L. L., Fairen-Jimenez, D., Ramos-Fernández, E. V., Ramirez-Cuesta, A. J., and Silvestre-Albero, J. Thu . "Gate-opening effect in ZIF-8: the first experimental proof using inelastic neutron scattering". United States. https://doi.org/10.1039/C5CC10222G. https://www.osti.gov/servlets/purl/1342663.
@article{osti_1342663,
title = {Gate-opening effect in ZIF-8: the first experimental proof using inelastic neutron scattering},
author = {Casco, M. E. and Cheng, Y. Q. and Daemen, L. L. and Fairen-Jimenez, D. and Ramos-Fernández, E. V. and Ramirez-Cuesta, A. J. and Silvestre-Albero, J.},
abstractNote = {In order to understand the behavior of industrial molecular separations, the gate-opening phenomenon in ZIFs are of paramount importance. We show for the first time using in situ inelastic neutron scattering (INS) the swinging of the -CH3 groups and the imidazolate linkers in the prototypical ZIF-8 and ZIF-8@AC hybrid materials upon exposure to mild N2 pressure.},
doi = {10.1039/C5CC10222G},
journal = {ChemComm},
number = 18,
volume = 52,
place = {United States},
year = {Thu Jan 28 00:00:00 EST 2016},
month = {Thu Jan 28 00:00:00 EST 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 99 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Dynamic porous properties of coordination polymers inspired by hydrogen bonds
journal, January 2005

  • Kitagawa, Susumu; Uemura, Kazuhiro
  • Chemical Society Reviews, Vol. 34, Issue 2
  • DOI: 10.1039/b313997m

Large breathing effects in three-dimensional porous hybrid matter: facts, analyses, rules and consequences
journal, January 2009

  • Férey, Gérard; Serre, Christian
  • Chemical Society Reviews, Vol. 38, Issue 5
  • DOI: 10.1039/b804302g

Opening the Gate: Framework Flexibility in ZIF-8 Explored by Experiments and Simulations
journal, June 2011

  • Fairen-Jimenez, D.; Moggach, S. A.; Wharmby, M. T.
  • Journal of the American Chemical Society, Vol. 133, Issue 23
  • DOI: 10.1021/ja202154j

Understanding Gas-Induced Structural Deformation of ZIF-8
journal, April 2012

  • Ania, Conchi O.; García-Pérez, E.; Haro, M.
  • The Journal of Physical Chemistry Letters, Vol. 3, Issue 9
  • DOI: 10.1021/jz300292y

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

Exceptional chemical and thermal stability of zeolitic imidazolate frameworks
journal, June 2006

  • Park, K. S.; Ni, Z.; Cote, A. P.
  • Proceedings of the National Academy of Sciences, Vol. 103, Issue 27, p. 10186-10191
  • DOI: 10.1073/pnas.0602439103

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


Quasi-Free Methyl Rotation in Zeolitic Imidazolate Framework-8
journal, December 2008

  • Zhou, Wei; Wu, Hui; Udovic, Terrence J.
  • The Journal of Physical Chemistry A, Vol. 112, Issue 49
  • DOI: 10.1021/jp807033m

Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy
journal, January 2015

  • Tan, Nicholas Y.; Ruggiero, Michael T.; Orellana-Tavra, Claudia
  • Chemical Communications, Vol. 51, Issue 89
  • DOI: 10.1039/C5CC06455D

Improved mechanical stability of HKUST-1 in confined nanospace
journal, January 2015

  • Casco, M. E.; Fernández-Catalá, J.; Martínez-Escandell, M.
  • Chemical Communications, Vol. 51, Issue 75
  • DOI: 10.1039/C5CC05107J

Vibrational Spectroscopy with Neutrons
book, June 2005

  • Mitchell, Philip C. H.; Parker, Stewart F.; Ramirez-Cuesta, Anibal J.
  • DOI: 10.1142/5628

Mobility of the 2-Methylimidazolate Linkers in ZIF-8 Probed by 2 H NMR: Saloon Doors for the Guests
journal, December 2015

  • Kolokolov, Daniil I.; Stepanov, Alexander G.; Jobic, Hervé
  • The Journal of Physical Chemistry C, Vol. 119, Issue 49
  • DOI: 10.1021/acs.jpcc.5b09312

Methane hydrate formation in confined nanospace can surpass nature
journal, March 2015

  • Casco, Mirian E.; Silvestre-Albero, Joaquín; Ramírez-Cuesta, Anibal J.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7432

Works referencing / citing this record:

Post‐Synthetic Modification of ZIF‐8 Crystals and Films through UV Light Photoirradiation: Impact on the Physicochemical Behavior of the MOF
journal, October 2019

  • Papurello, Rocío L.; Lozano, Luis A.; Ramos‐Fernández, Enrique V.
  • ChemPhysChem, Vol. 20, Issue 23
  • DOI: 10.1002/cphc.201900863

Neutron Instruments for Research in Coordination Chemistry: Neutron Instruments for Research in Coordination Chemistry
journal, January 2019

  • Xue, Zi-Ling; Ramirez-Cuesta, Anibal J.; Brown, Craig M.
  • European Journal of Inorganic Chemistry, Vol. 2019, Issue 8
  • DOI: 10.1002/ejic.201801076

On flexible force fields for metal-organic frameworks: Recent developments and future prospects
journal, March 2018

  • Heinen, Jurn; Dubbeldam, David
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 8, Issue 4
  • DOI: 10.1002/wcms.1363

Room temperature resistive gas sensor based on ZIF-8/MWCNT/AgNPs nanocomposite for VOCs detection
journal, June 2019

  • Jafari, Nasim; Zeinali, Sedigheh; Shadmehr, Jafar
  • Journal of Materials Science: Materials in Electronics, Vol. 30, Issue 13
  • DOI: 10.1007/s10854-019-01592-7

Tailoring the gas separation efficiency of metal organic framework ZIF-8 through metal substitution: a computational study
journal, January 2018

  • Krokidas, Panagiotis; Moncho, Salvador; Brothers, Edward N.
  • Physical Chemistry Chemical Physics, Vol. 20, Issue 7
  • DOI: 10.1039/c7cp08456k

Guest–host interactions of nanoconfined anti-cancer drug in metal–organic framework exposed by terahertz dynamics
journal, January 2019

  • Souza, Barbara E.; Rudić, Svemir; Titov, Kirill
  • Chemical Communications, Vol. 55, Issue 27
  • DOI: 10.1039/c8cc10089f

New insights into the breathing phenomenon in ZIF-4
journal, January 2019

  • Gandara-Loe, Jesus; Missyul, Alexander; Fauth, François
  • Journal of Materials Chemistry A, Vol. 7, Issue 24
  • DOI: 10.1039/c8ta09713e

Thermodynamic evidence of a transition in ZIF-8 upon CH 4 sorption
journal, January 2019

  • Gallaba, Dinuka H.; Migone, Aldo D.
  • Physical Chemistry Chemical Physics, Vol. 21, Issue 29
  • DOI: 10.1039/c9cp01944h

“Induced-Fit Suction” effect: a booster for biofuel storage and separation
journal, January 2019

  • Li, He; Guo, Fangyuan; Hu, Jun
  • Journal of Materials Chemistry A, Vol. 7, Issue 39
  • DOI: 10.1039/c9ta06723j

Benchmarking of GGA density functionals for modeling structures of nanoporous, rigid and flexible MOFs
journal, August 2018

  • Formalik, Filip; Fischer, Michael; Rogacka, Justyna
  • The Journal of Chemical Physics, Vol. 149, Issue 6
  • DOI: 10.1063/1.5030493

Oxygen condensation in ZIF-8 upon ‘gate opening’ structural transition
journal, August 2019


Phonons in deformable microporous crystalline solids
journal, July 2019

  • Kuchta, Bogdan; Formalik, Filip; Rogacka, Justyna
  • Zeitschrift für Kristallographie - Crystalline Materials, Vol. 234, Issue 7-8
  • DOI: 10.1515/zkri-2018-2152

Flexibility in Metal–Organic Frameworks: A Basic Understanding
journal, June 2019

  • Aljammal, Noor; Jabbour, Christia; Chaemchuen, Somboon
  • Catalysts, Vol. 9, Issue 6
  • DOI: 10.3390/catal9060512

Oxygen condensation in ZIF-8 upon ‘gate opening’ structural transition
text, January 2019