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Dramatic Enhancement of Rare-Earth Metal–Organic Framework Stability Via Metal Cluster Fluorination

Journal Article · · JACS Au
 [1];  [2];  [1];  [3];  [4];  [1]
  1. Geochemistry Department, Sandia National Laboratories, Albuquerque, New Mexico 87123, United States
  2. Organic Materials Science Department, Sandia National Laboratories, Albuquerque, New Mexico 87123, United States
  3. Nanoscale Sciences Department, Sandia National Laboratories, Albuquerque, New Mexico 87123, United States
  4. Material, Physical, and Chemical Sciences, Sandia National Laboratories, Albuquerque, New Mexico 87123, United States

Not Available

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
NA0003525; SC0012577
OSTI ID:
1880370
Alternate ID(s):
OSTI ID: 1882640
Journal Information:
JACS Au, Journal Name: JACS Au Journal Issue: 8 Vol. 2; ISSN 2691-3704
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (64)

Prediction of Reactive Nitrous Acid Formation in Rare‐Earth MOFs via ab initio Molecular Dynamics journal April 2021
Encoding Multilayer Complexity in Anti‐Counterfeiting Heterometallic MOF‐Based Optical Tags journal December 2020
Prediction of Reactive Nitrous Acid Formation in Rare‐Earth MOFs via ab initio Molecular Dynamics journal April 2021
Molecular Surgery at Microporous MOF for Mesopore Generation and Renovation journal May 2021
Incorporation of Functional Groups in Porphyrinic Metal‐Organic Frameworks by Post‐modification for Highly Efficient Oxidation Catalysis journal June 2020
A Hydrophobic Metal-Organic Framework Based on Cubane-Type [Co 43 -F) 33 -SO 4 )] 3+ Clusters for Gas Storage and Adsorption Selectivity of Benzene over Cyclohexane journal July 2016
An Ultrahydrophobic Fluorous Metal-Organic Framework Derived Recyclable Composite as a Promising Platform to Tackle Marine Oil Spills journal June 2016
[NaCu(2,4-HPdc)(2,4-Pdc)] Mixed Metal-Organic Framework as a Heterogeneous Catalyst: A Mixed Metal-Organic Framework as a Heterogeneous Catalyst journal September 2015
Effect of the damping function in dispersion corrected density functional theory journal March 2011
First-principles calculations of NMR parameters for phosphate materials journal September 2010
A Heterometallic MOF based on Monofunctional Linker by “One-pot” Solvothermal Method for Highly Selective Gas Adsorption: A Heterometallic MOF based on Monofunctional Linker by “One-pot” Solvothermal Method for Highly Selective Gas Adsorption journal April 2020
Recent advances in post-synthetic modification of metal–organic frameworks: New types and tandem reactions journal January 2019
NbF5 and TaF5: Assignment of 19F NMR resonances and chemical bond analysis from GIPAW calculations journal November 2013
Polycrystalline rare-earth metal-organic framework membranes with in-situ healing ability for efficient alcohol dehydration journal September 2020
The PAW/GIPAW approach for computing NMR parameters: A new dimension added to NMR study of solids journal July 2011
NMR parameters in column 13 metal fluoride compounds (AlF3, GaF3, InF3 and TlF) from first principle calculations journal May 2014
Achieving High Performance Metal–Organic Framework Materials through Pore Engineering journal August 2021
Selectivity of C–H Activation and Competition between C–H and C–F Bond Activation at Fluorocarbons journal June 2017
Enhancing Higher Hydrocarbons Capture for Natural Gas Upgrading by Tuning van der Waals Interactions in fcu -Type Zr-MOFs journal December 2017
A Series of Metal–Organic Framework Isomers Based on Pyridinedicarboxylate Ligands: Diversified Selective Gas Adsorption and the Positional Effect of Methyl Functionality journal January 2021
Predictive Acid Gas Adsorption in Rare Earth DOBDC Metal–Organic Frameworks via Complementary Cluster and Periodic Structure Models journal November 2020
Influence of Polymorphs and Local Defect Structures on NMR Parameters of Graphite Fluorides journal January 2021
Defect and Linker Effects on the Binding of Organophosphorous Compounds in UiO-66 and Rare-Earth MOFs journal November 2018
Magnetic Tunability in RE-DOBDC MOFs via NO x Acid Gas Adsorption journal April 2020
Kinetically Controlled Linker Binding in Rare Earth-2,5-Dihydroxyterepthalic Acid Metal–Organic Frameworks and Its Predicted Effects on Acid Gas Adsorption journal November 2021
Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics journal January 2022
Multifunctional, Tunable Metal–Organic Framework Materials Platform for Bioimaging Applications journal June 2017
Fluorine Doping Strengthens the Lithium-Storage Properties of the Mn-Based Metal–Organic Framework journal August 2017
Cooperative Sieving and Functionalization of Zr Metal–Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers journal April 2019
NO x Adsorption and Optical Detection in Rare Earth Metal–Organic Frameworks journal October 2019
Postsynthetic Modification of ZIF-8 Membranes via Membrane Surface Ligand Exchange for Light Hydrocarbon Gas Separation Enhancement journal December 2019
Tuned Hydrogen Bonding in Rare-Earth Metal–Organic Frameworks for Design of Optical and Electronic Properties: An Exemplar Study of Y–2,5-Dihydroxyterephthalic Acid journal January 2020
Metal−Organic Frameworks with Functional Pores for Recognition of Small Molecules journal August 2010
Determination of the Oligomeric Number and Intermolecular Distances of Membrane Protein Assemblies by Anisotropic 1 H-Driven Spin Diffusion NMR Spectroscopy journal June 2006
A Cubic, 12-Connected, Microporous Metal−Organometallic Phosphate Framework Sustained by Truncated Tetrahedral Nodes
  • Kumalah Robinson, Sayon A.; Mempin, Marion-Vincent L.; Cairns, Amy J.
  • Journal of the American Chemical Society, Vol. 133, Issue 6 https://doi.org/10.1021/ja108894a
journal February 2011
Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake journal May 2013
Sequential Linker Installation: Precise Placement of Functional Groups in Multivariate Metal–Organic Frameworks journal March 2015
Tunable Rare Earth fcu -MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction journal April 2015
Centerband-Only Detection of Exchange:  Efficient Analysis of Dynamics in Solids by NMR journal September 1999
Continuous Breathing Rare-Earth MOFs Based on Hexanuclear Clusters with Gas Trapping Properties journal June 2021
Fluoro-Bridged Clusters in Rare-Earth Metal–Organic Frameworks journal October 2021
Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs journal July 2016
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies journal December 2015
Towards estimation of CO2 adsorption on highly porous MOF-based adsorbents using gaussian process regression approach journal August 2021
Positive effect of the fluorine moiety on the oxygen storage capacity of UiO-66 metal–organic frameworks journal January 2016
Structure and electronic properties of rare earth DOBDC metal–organic-frameworks journal January 2019
Synthetic approaches for accessing rare-earth analogues of UiO-66 journal January 2021
Design of a MOF based on octa-nuclear zinc clusters realizing both thermal stability and structural flexibility journal January 2022
Fluorine as a structure-directing element in organometallic fluorides: discrete molecules, supramolecular self-assembly and host–guest complexation † journal January 1999
NMR parameters in alkali, alkaline earth and rare earth fluorides from first principle calculations journal January 2011
The structure of fluoride-containing bioactive glasses: new insights from first-principles calculations and solid state NMR spectroscopy journal January 2012
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements journal October 1994
Ab initiomolecular dynamics for liquid metals journal January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
All-electron magnetic response with pseudopotentials: NMR chemical shifts journal May 2001
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal April 2008
Generalized Gradient Approximation Made Simple journal October 1996
Secondary building units as the turning point in the development of the reticular chemistry of MOFs journal October 2018
Interfacial Design of Mixed Matrix Membranes via Grafting PVA on UiO-66-NH2 to Enhance the Gas Separation Performance journal May 2021
Hydrogen-Bonding Linkers Yield a Large-Pore, Non-Catenated, Metal-Organic Framework with pcu Topology journal February 2020

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