skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system

Abstract

Metal-organic frameworks (MOFs) based on zirconium phosphonates exhibit superior chemical stability suitable for applications under harsh conditions. These compounds mostly exist as poorly crystallized precipitates, and precise structural information has therefore remained elusive. Furthermore, a zero-dimensional zirconium phosphonate cluster acting as secondary building unit has been lacking, leading to poor designability in this system. We overcome these challenges and obtain single crystals of three zirconium phosphonates that are suitable for structural analysis. Furthermore, these compounds are built by previously unknown isolated zirconium phosphonate clusters and exhibit combined high porosity and ultrastability even in fuming acids. SZ-2 possesses the largest void volume recorded in zirconium phosphonates and SZ-3 represents the most porous crystalline zirconium phosphonate and the only porous MOF material reported to survive in aqua regia. SZ-2 and SZ-3 can effectively remove uranyl ions from aqueous solutions over a wide pH range, and we have elucidated the removal mechanism.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [2];  [2];  [2];  [2];  [2];  [3];  [2];  [2];  [2];  [2];  [2];  [3]; ORCiD logo [4];  [2];  [5];  [2]
  1. Soochow Univ., Jiangsu (China). Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions; Nanjing Univ. of Science and Technology (China). School of Environment and Biological Engineering
  2. Soochow Univ., Jiangsu (China). Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions
  3. Chinese Academy of Sciences (CAS), Beijing (China). Shanghai Inst. of Applied Physics and Key Lab. of Nuclear Radiation and Nuclear Energy Technology
  4. Soochow Univ., Jiangsu (China). Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions; IBM Thomas J. Watson Research Center, Yorktown Heights, NY (United States). Computational Biology Center; Columbia Univ., New York, NY (United States). Dept. of Chemistry
  5. Florida State Univ., Tallahassee, FL (United States). Dept. of Chemistry and Biochemistry
Publication Date:
Research Org.:
Florida State Univ., Tallahassee, FL (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Actinide Science & Technology (CAST)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1389275
Grant/Contract Number:  
SC0016568
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 8; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; metal-organic frameworks; solid-state chemistry

Citation Formats

Zheng, Tao, Yang, Zaixing, Gui, Daxiang, Liu, Zhiyong, Wang, Xiangxiang, Dai, Xing, Liu, Shengtang, Zhang, Linjuan, Gao, Yang, Chen, Lanhua, Sheng, Daopeng, Wang, Yanlong, Diwu, Juan, Wang, Jianqiang, Zhou, Ruhong, Chai, Zhifang, Albrecht-Schmitt, Thomas E., and Wang, Shuao. Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system. United States: N. p., 2017. Web. doi:10.1038/ncomms15369.
Zheng, Tao, Yang, Zaixing, Gui, Daxiang, Liu, Zhiyong, Wang, Xiangxiang, Dai, Xing, Liu, Shengtang, Zhang, Linjuan, Gao, Yang, Chen, Lanhua, Sheng, Daopeng, Wang, Yanlong, Diwu, Juan, Wang, Jianqiang, Zhou, Ruhong, Chai, Zhifang, Albrecht-Schmitt, Thomas E., & Wang, Shuao. Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system. United States. doi:10.1038/ncomms15369.
Zheng, Tao, Yang, Zaixing, Gui, Daxiang, Liu, Zhiyong, Wang, Xiangxiang, Dai, Xing, Liu, Shengtang, Zhang, Linjuan, Gao, Yang, Chen, Lanhua, Sheng, Daopeng, Wang, Yanlong, Diwu, Juan, Wang, Jianqiang, Zhou, Ruhong, Chai, Zhifang, Albrecht-Schmitt, Thomas E., and Wang, Shuao. Tue . "Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system". United States. doi:10.1038/ncomms15369. https://www.osti.gov/servlets/purl/1389275.
@article{osti_1389275,
title = {Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system},
author = {Zheng, Tao and Yang, Zaixing and Gui, Daxiang and Liu, Zhiyong and Wang, Xiangxiang and Dai, Xing and Liu, Shengtang and Zhang, Linjuan and Gao, Yang and Chen, Lanhua and Sheng, Daopeng and Wang, Yanlong and Diwu, Juan and Wang, Jianqiang and Zhou, Ruhong and Chai, Zhifang and Albrecht-Schmitt, Thomas E. and Wang, Shuao},
abstractNote = {Metal-organic frameworks (MOFs) based on zirconium phosphonates exhibit superior chemical stability suitable for applications under harsh conditions. These compounds mostly exist as poorly crystallized precipitates, and precise structural information has therefore remained elusive. Furthermore, a zero-dimensional zirconium phosphonate cluster acting as secondary building unit has been lacking, leading to poor designability in this system. We overcome these challenges and obtain single crystals of three zirconium phosphonates that are suitable for structural analysis. Furthermore, these compounds are built by previously unknown isolated zirconium phosphonate clusters and exhibit combined high porosity and ultrastability even in fuming acids. SZ-2 possesses the largest void volume recorded in zirconium phosphonates and SZ-3 represents the most porous crystalline zirconium phosphonate and the only porous MOF material reported to survive in aqua regia. SZ-2 and SZ-3 can effectively remove uranyl ions from aqueous solutions over a wide pH range, and we have elucidated the removal mechanism.},
doi = {10.1038/ncomms15369},
journal = {Nature Communications},
number = ,
volume = 8,
place = {United States},
year = {2017},
month = {5}
}

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

Citation Metrics:
Cited by: 90 works
Citation information provided by
Web of Science

Figures / Tables:

Figure 1 Figure 1: Crystal structure and network topology of SZ-1. The Tppm ligand (a) is connected to four 8-connected Zr5P8 clusters (b) to generate a 3D network with a sieve-like layered structure in the bc plane (c–e). Colour scheme: Zr, green; P, purple; C, grey.

Save / Share:

Works referenced in this record:

Electrostatic gating of a nanometer water channel
journal, February 2007

  • Li, J.; Gong, X.; Lu, H.
  • Proceedings of the National Academy of Sciences, Vol. 104, Issue 10
  • DOI: 10.1073/pnas.0604541104

ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT
journal, June 2005


Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe
journal, February 2001

  • Martin, Jan M. L.; Sundermann, Andreas
  • The Journal of Chemical Physics, Vol. 114, Issue 8
  • DOI: 10.1063/1.1337864

The use of a rigid tritopic phosphonic ligand for the synthesis of a robust honeycomb-like layered zirconium phosphonate framework
journal, January 2014

  • Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo
  • Chem. Commun., Vol. 50, Issue 43
  • DOI: 10.1039/c4cc01253d

Single Mutation Induced H3N2 Hemagglutinin Antibody Neutralization: A Free Energy Perturbation Study
journal, December 2008

  • Zhou, Ruhong; Das, Payel; Royyuru, Ajay K.
  • The Journal of Physical Chemistry B, Vol. 112, Issue 49
  • DOI: 10.1021/jp805529z

Urea-Induced Drying of Carbon Nanotubes Suggests Existence of a Dry Globule-like Transient State During Chemical Denaturation of Proteins
journal, April 2010

  • Das, Payel; Zhou, Ruhong
  • The Journal of Physical Chemistry B, Vol. 114, Issue 16
  • DOI: 10.1021/jp911444q

Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal–Organic Frameworks
journal, June 2012

  • Morris, William; Volosskiy, Boris; Demir, Selcuk
  • Inorganic Chemistry, Vol. 51, Issue 12, p. 6443-6445
  • DOI: 10.1021/ic300825s

Observation of a dewetting transition in the collapse of the melittin tetramer
journal, September 2005


Palladium Porphyrin Containing Zirconium Phosphonate Langmuir−Blodgett Films
journal, April 1999

  • Nixon, Christine M.; Le Claire, Karine; Odobel, Fabrice
  • Chemistry of Materials, Vol. 11, Issue 4
  • DOI: 10.1021/cm980636d

The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets
journal, December 2008

  • O’Keeffe, Michael; Peskov, Maxim A.; Ramsden, Stuart J.
  • Accounts of Chemical Research, Vol. 41, Issue 12, p. 1782-1789
  • DOI: 10.1021/ar800124u

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
journal, February 2008

  • Hess, Berk; Kutzner, Carsten; van der Spoel, David
  • Journal of Chemical Theory and Computation, Vol. 4, Issue 3
  • DOI: 10.1021/ct700301q

Thermal Denaturing of Mutant Lysozyme with Both the OPLSAA and the CHARMM Force Fields
journal, October 2006

  • Eleftheriou, Maria; Germain, Robert S.; Royyuru, Ajay K.
  • Journal of the American Chemical Society, Vol. 128, Issue 41
  • DOI: 10.1021/ja060972s

Comparison of simple potential functions for simulating liquid water
journal, July 1983

  • Jorgensen, William L.; Chandrasekhar, Jayaraman; Madura, Jeffry D.
  • The Journal of Chemical Physics, Vol. 79, Issue 2
  • DOI: 10.1063/1.445869

An ultrastable zirconium-phosphonate framework as bifunctional catalyst for highly active CO 2 chemical transformation
journal, January 2017

  • Gao, Chao-Ying; Ai, Jing; Tian, Hong-Rui
  • Chemical Communications, Vol. 53, Issue 7
  • DOI: 10.1039/C6CC08773F

Reticular synthesis and the design of new materials
journal, June 2003

  • Yaghi, Omar M.; O'Keeffe, Michael; Ockwig, Nathan W.
  • Nature, Vol. 423, Issue 6941, p. 705-714
  • DOI: 10.1038/nature01650

Atomic charges derived from electrostatic potentials: A detailed study
journal, September 1987

  • Chirlian, Lisa Emily; Francl, Michelle Miller
  • Journal of Computational Chemistry, Vol. 8, Issue 6
  • DOI: 10.1002/jcc.540080616

The first route to highly stable crystalline microporous zirconium phosphonate metal–organic frameworks
journal, January 2014

  • Taddei, Marco; Costantino, Ferdinando; Marmottini, Fabio
  • Chem. Commun., Vol. 50, Issue 94
  • DOI: 10.1039/C4CC06223J

Monolayers as Models for Supported Catalysts:  Zirconium Phosphonate Films Containing Manganese(III) Porphyrins
journal, April 2002

  • Benítez, Isa O.; Bujoli, Bruno; Camus, Laurent J.
  • Journal of the American Chemical Society, Vol. 124, Issue 16
  • DOI: 10.1021/ja017317z

Highly porous and stable metal–organic frameworks for uranium extraction
journal, January 2013

  • Carboni, Michaël; Abney, Carter W.; Liu, Shubin
  • Chemical Science, Vol. 4, Issue 6, p. 2396-2402
  • DOI: 10.1039/c3sc50230a

Water-mediated signal multiplication with Y-shaped carbon nanotubes
journal, October 2009

  • Tu, Y.; Xiu, P.; Wan, R.
  • Proceedings of the National Academy of Sciences, Vol. 106, Issue 43
  • DOI: 10.1073/pnas.0902676106

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

Interactions Between Proteins and Carbon-Based Nanoparticles: Exploring the Origin of Nanotoxicity at the Molecular Level
journal, October 2012


An Exceptionally Stable, Porphyrinic Zr Metal–Organic Framework Exhibiting pH-Dependent Fluorescence
journal, September 2013

  • Jiang, Hai-Long; Feng, Dawei; Wang, Kecheng
  • Journal of the American Chemical Society, Vol. 135, Issue 37
  • DOI: 10.1021/ja406844r

A Hafnium-Based Metal–Organic Framework as a Nature-Inspired Tandem Reaction Catalyst
journal, October 2015

  • Beyzavi, M. Hassan; Vermeulen, Nicolaas A.; Howarth, Ashlee J.
  • Journal of the American Chemical Society, Vol. 137, Issue 42
  • DOI: 10.1021/jacs.5b08440

Synthesis, Crystal Structure, and Proton Conductivity of One-Dimensional, Two-Dimensional, and Three-Dimensional Zirconium Phosphonates Based on Glyphosate and Glyphosine
journal, September 2013

  • Taddei, Marco; Donnadio, Anna; Costantino, Ferdinando
  • Inorganic Chemistry, Vol. 52, Issue 20
  • DOI: 10.1021/ic4019597

Parameter-free calculations of X-ray spectra with FEFF9
journal, January 2010

  • Rehr, John J.; Kas, Joshua J.; Vila, Fernando D.
  • Physical Chemistry Chemical Physics, Vol. 12, Issue 21
  • DOI: 10.1039/b926434e

Pyrazolate-Based Porphyrinic Metal–Organic Framework with Extraordinary Base-Resistance
journal, January 2016

  • Wang, Kecheng; Lv, Xiu-Liang; Feng, Dawei
  • Journal of the American Chemical Society, Vol. 138, Issue 3
  • DOI: 10.1021/jacs.5b10881

A Series of Isoreticular, Highly Stable, Porous Zirconium Oxide Based Metal-Organic Frameworks
journal, August 2012

  • Guillerm, V.; Ragon, F.; Dan-Hardi, M.
  • Angewandte Chemie International Edition, Vol. 51, Issue 37
  • DOI: 10.1002/anie.201204806

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

Introduction of amino groups into acid-resistant MOFs for enhanced U( vi ) sorption
journal, January 2015

  • Bai, Zhi-Qiang; Yuan, Li-Yong; Zhu, Lin
  • Journal of Materials Chemistry A, Vol. 3, Issue 2
  • DOI: 10.1039/C4TA04878D

Vapor-Phase Metalation by Atomic Layer Deposition in a Metal–Organic Framework
journal, May 2013

  • Mondloch, Joseph E.; Bury, Wojciech; Fairen-Jimenez, David
  • Journal of the American Chemical Society, Vol. 135, Issue 28, p. 10294-10297
  • DOI: 10.1021/ja4050828

A Robust Infinite Zirconium Phenolate Building Unit to Enhance the Chemical Stability of Zr MOFs
journal, September 2015

  • Mouchaham, Georges; Cooper, Lucy; Guillou, Nathalie
  • Angewandte Chemie, Vol. 127, Issue 45
  • DOI: 10.1002/ange.201507058

Thermodynamically Guided Synthesis of Mixed-Linker Zr-MOFs with Enhanced Tunability
journal, May 2016

  • Yuan, Shuai; Qin, Jun-Sheng; Zou, Lanfang
  • Journal of the American Chemical Society, Vol. 138, Issue 20
  • DOI: 10.1021/jacs.6b03263

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913

Sulfonated Microporous Organic−Inorganic Hybrids as Strong Bronsted Acids 1
journal, August 2003

  • Wang, Zhike; Heising, Joy M.; Clearfield, Abraham
  • Journal of the American Chemical Society, Vol. 125, Issue 34
  • DOI: 10.1021/ja030226c

Zr-based metal–organic frameworks: design, synthesis, structure, and applications
journal, January 2016

  • Bai, Yan; Dou, Yibo; Xie, Lin-Hua
  • Chemical Society Reviews, Vol. 45, Issue 8
  • DOI: 10.1039/C5CS00837A

Canonical sampling through velocity rescaling
journal, January 2007

  • Bussi, Giovanni; Donadio, Davide; Parrinello, Michele
  • The Journal of Chemical Physics, Vol. 126, Issue 1
  • DOI: 10.1063/1.2408420

LINCS: A linear constraint solver for molecular simulations
journal, September 1997


Free energy simulations reveal a double mutant avian H5N1 virus hemagglutinin with altered receptor binding specificity
journal, August 2009

  • Das, Payel; Li, Jingyuan; Royyuru, Ajay K.
  • Journal of Computational Chemistry, Vol. 30, Issue 11
  • DOI: 10.1002/jcc.21274

Topology-Guided Design and Syntheses of Highly Stable Mesoporous Porphyrinic Zirconium Metal–Organic Frameworks with High Surface Area
journal, December 2014

  • Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin
  • Journal of the American Chemical Society, Vol. 137, Issue 1
  • DOI: 10.1021/ja5111317

Hydrophobic Collapse in Multidomain Protein Folding
journal, September 2004


Highly Porous Zirconium Metal–Organic Frameworks with β-UH 3 -like Topology Based on Elongated Tetrahedral Linkers
journal, June 2016

  • Zhang, Xin; Zhang, Xu; Johnson, Jacob A.
  • Journal of the American Chemical Society, Vol. 138, Issue 27
  • DOI: 10.1021/jacs.6b04608

Are Zr 6 -based MOFs water stable? Linker hydrolysis vs. capillary-force-driven channel collapse
journal, January 2014

  • Mondloch, Joseph E.; Katz, Michael J.; Planas, Nora
  • Chemical Communications, Vol. 50, Issue 64
  • DOI: 10.1039/C4CC02401J

Superacidity in Sulfated Metal–Organic Framework-808
journal, September 2014

  • Jiang, Juncong; Gándara, Felipe; Zhang, Yue-Biao
  • Journal of the American Chemical Society, Vol. 136, Issue 37
  • DOI: 10.1021/ja507119n

Layered Metal Sulfides Capture Uranium from Seawater
journal, September 2012

  • Manos, Manolis. J.; Kanatzidis, Mercouri G.
  • Journal of the American Chemical Society, Vol. 134, Issue 39
  • DOI: 10.1021/ja308028n

Aggregation of  -crystallins associated with human cataracts via domain swapping at the C-terminal  -strands
journal, June 2011

  • Das, P.; King, J. A.; Zhou, R.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 26
  • DOI: 10.1073/pnas.1019152108

Crystal structure refinement with SHELXL
journal, January 2015

  • Sheldrick, George M.
  • Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8
  • DOI: 10.1107/S2053229614024218

Probing the Self-Assembly Mechanism of Diphenylalanine-Based Peptide Nanovesicles and Nanotubes
journal, April 2012


A Water Stable Magnesium MOF That Conducts Protons over 10 –2 S cm –1
journal, June 2015

  • Ramaswamy, Padmini; Wong, Norman E.; Gelfand, Benjamin S.
  • Journal of the American Chemical Society, Vol. 137, Issue 24
  • DOI: 10.1021/jacs.5b04399

Efficient Removal and Recovery of Uranium by a Layered Organic–Inorganic Hybrid Thiostannate
journal, September 2016

  • Feng, Mei-Ling; Sarma, Debajit; Qi, Xing-Hui
  • Journal of the American Chemical Society, Vol. 138, Issue 38
  • DOI: 10.1021/jacs.6b07351

Urea-Induced Drying of Hydrophobic Nanotubes: Comparison of Different Urea Models
journal, March 2011

  • Xiu, Peng; Yang, Zaixing; Zhou, Bo
  • The Journal of Physical Chemistry B, Vol. 115, Issue 12
  • DOI: 10.1021/jp108303q

Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
journal, October 2010

  • Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo
  • Inorganic Chemistry, Vol. 49, Issue 20
  • DOI: 10.1021/ic1014048

Ultraporous, Water Stable, and Breathing Zirconium-Based Metal–Organic Frameworks with ftw Topology
journal, September 2015

  • Deria, Pravas; Gómez-Gualdrón, Diego A.; Bury, Wojciech
  • Journal of the American Chemical Society, Vol. 137, Issue 40
  • DOI: 10.1021/jacs.5b08860

A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability
journal, October 2008

  • Cavka, Jasmina Hafizovic; Jakobsen, Søren; Olsbye, Unni
  • Journal of the American Chemical Society, Vol. 130, Issue 42, p. 13850-13851
  • DOI: 10.1021/ja8057953

Highly Stable Zr(IV)-Based Metal–Organic Frameworks for the Detection and Removal of Antibiotics and Organic Explosives in Water
journal, May 2016

  • Wang, Bin; Lv, Xiu-Liang; Feng, Dawei
  • Journal of the American Chemical Society, Vol. 138, Issue 19
  • DOI: 10.1021/jacs.6b01663

MOF-76: from a luminescent probe to highly efficient UVI sorption material
journal, January 2013

  • Yang, Weiting; Bai, Zhi-Qiang; Shi, Wei-Qun
  • Chemical Communications, Vol. 49, Issue 88
  • DOI: 10.1039/c3cc44983a

Umbellate Distortions of the Uranyl Coordination Environment Result in a Stable and Porous Polycatenated Framework That Can Effectively Remove Cesium from Aqueous Solutions
journal, May 2015

  • Wang, Yanlong; Liu, Zhiyong; Li, Yuxiang
  • Journal of the American Chemical Society, Vol. 137, Issue 19
  • DOI: 10.1021/jacs.5b02480

Energy-adjustedab initio pseudopotentials for the second and third row transition elements
journal, January 1990

  • Andrae, D.; H�u�ermann, U.; Dolg, M.
  • Theoretica Chimica Acta, Vol. 77, Issue 2
  • DOI: 10.1007/BF01114537

Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
journal, October 1992

  • Miyamoto, Shuichi; Kollman, Peter A.
  • Journal of Computational Chemistry, Vol. 13, Issue 8
  • DOI: 10.1002/jcc.540130805

Hard and Soft Acids and Bases
journal, November 1963

  • Pearson, Ralph G.
  • Journal of the American Chemical Society, Vol. 85, Issue 22
  • DOI: 10.1021/ja00905a001

High valence 3p and transition metal based MOFs
journal, January 2014

  • Devic, Thomas; Serre, Christian
  • Chem. Soc. Rev., Vol. 43, Issue 16
  • DOI: 10.1039/C4CS00081A

Conventional and Unconventional Metal–Organic Frameworks Based on Phosphonate Ligands: MOFs and UMOFs
journal, September 2011

  • Gagnon, Kevin J.; Perry, Houston P.; Clearfield, Abraham
  • Chemical Reviews, Vol. 112, Issue 2
  • DOI: 10.1021/cr2002257

Use of γ-zirconium phosphate for Cs removal from radioactive waste
journal, October 1982

  • Komarneni, Sridhar; Roy, Rustum
  • Nature, Vol. 299, Issue 5885
  • DOI: 10.1038/299707a0

Hydration of uranyl (UO22+) cation and its nitrate ion and 18-crown-6 adducts studied by molecular dynamics simulations
journal, May 1993

  • Guilbaud, P.; Wipff, G.
  • The Journal of Physical Chemistry, Vol. 97, Issue 21
  • DOI: 10.1021/j100123a037

Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic Frameworks with Ultrahigh Stability as Biomimetic Catalysts
journal, August 2012

  • Feng, Dawei; Gu, Zhi-Yuan; Li, Jian-Rong
  • Angewandte Chemie International Edition, Vol. 51, Issue 41
  • DOI: 10.1002/anie.201204475

PLATON SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors
journal, January 2015

  • Spek, Anthony L.
  • Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 9-18
  • DOI: 10.1107/S2053229614024929

VMD: Visual molecular dynamics
journal, February 1996


Large-Pore Apertures in a Series of Metal-Organic Frameworks
journal, May 2012


Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
journal, March 1972

  • Hehre, W. J.; Ditchfield, R.; Pople, J. A.
  • The Journal of Chemical Physics, Vol. 56, Issue 5, p. 2257-2261
  • DOI: 10.1063/1.1677527

Alzheimer's Disease: Genes, Proteins, and Therapy
journal, April 2001


    Works referencing / citing this record:

    A Series of Isoreticular, Highly Stable, Porous Zirconium Oxide Based Metal-Organic Frameworks
    journal, August 2012

    • Guillerm, V.; Ragon, F.; Dan-Hardi, M.
    • Angewandte Chemie International Edition, Vol. 51, Issue 37
    • DOI: 10.1002/anie.201204806

    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

    Free energy simulations reveal a double mutant avian H5N1 virus hemagglutinin with altered receptor binding specificity
    journal, August 2009

    • Das, Payel; Li, Jingyuan; Royyuru, Ajay K.
    • Journal of Computational Chemistry, Vol. 30, Issue 11
    • DOI: 10.1002/jcc.21274

    Atomic charges derived from electrostatic potentials: A detailed study
    journal, September 1987

    • Chirlian, Lisa Emily; Francl, Michelle Miller
    • Journal of Computational Chemistry, Vol. 8, Issue 6
    • DOI: 10.1002/jcc.540080616

    Interactions Between Proteins and Carbon-Based Nanoparticles: Exploring the Origin of Nanotoxicity at the Molecular Level
    journal, October 2012


    Synthesis of Some Di- and Tetraphosphonic Acids by Suzuki Cross-Coupling: Synthesis of Some Di- and Tetraphosphonic Acids by Suzuki Cross-Coupling
    journal, July 2018

    • Schütrumpf, Alexandra; Duthie, Andrew; Lork, Enno
    • Zeitschrift für anorganische und allgemeine Chemie, Vol. 644, Issue 19
    • DOI: 10.1002/zaac.201800197

    VMD: Visual molecular dynamics
    journal, February 1996


    The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets
    journal, December 2008

    • O’Keeffe, Michael; Peskov, Maxim A.; Ramsden, Stuart J.
    • Accounts of Chemical Research, Vol. 41, Issue 12, p. 1782-1789
    • DOI: 10.1021/ar800124u

    Palladium Porphyrin Containing Zirconium Phosphonate Langmuir−Blodgett Films
    journal, April 1999

    • Nixon, Christine M.; Le Claire, Karine; Odobel, Fabrice
    • Chemistry of Materials, Vol. 11, Issue 4
    • DOI: 10.1021/cm980636d

    Conventional and Unconventional Metal–Organic Frameworks Based on Phosphonate Ligands: MOFs and UMOFs
    journal, September 2011

    • Gagnon, Kevin J.; Perry, Houston P.; Clearfield, Abraham
    • Chemical Reviews, Vol. 112, Issue 2
    • DOI: 10.1021/cr2002257

    GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
    journal, February 2008

    • Hess, Berk; Kutzner, Carsten; van der Spoel, David
    • Journal of Chemical Theory and Computation, Vol. 4, Issue 3
    • DOI: 10.1021/ct700301q

    Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
    journal, October 2010

    • Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo
    • Inorganic Chemistry, Vol. 49, Issue 20
    • DOI: 10.1021/ic1014048

    Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal–Organic Frameworks
    journal, June 2012

    • Morris, William; Volosskiy, Boris; Demir, Selcuk
    • Inorganic Chemistry, Vol. 51, Issue 12, p. 6443-6445
    • DOI: 10.1021/ic300825s

    Synthesis, Crystal Structure, and Proton Conductivity of One-Dimensional, Two-Dimensional, and Three-Dimensional Zirconium Phosphonates Based on Glyphosate and Glyphosine
    journal, September 2013

    • Taddei, Marco; Donnadio, Anna; Costantino, Ferdinando
    • Inorganic Chemistry, Vol. 52, Issue 20
    • DOI: 10.1021/ic4019597

    Hydration of uranyl (UO22+) cation and its nitrate ion and 18-crown-6 adducts studied by molecular dynamics simulations
    journal, May 1993

    • Guilbaud, P.; Wipff, G.
    • The Journal of Physical Chemistry, Vol. 97, Issue 21
    • DOI: 10.1021/j100123a037

    Hard and Soft Acids and Bases
    journal, November 1963

    • Pearson, Ralph G.
    • Journal of the American Chemical Society, Vol. 85, Issue 22
    • DOI: 10.1021/ja00905a001

    Monolayers as Models for Supported Catalysts:  Zirconium Phosphonate Films Containing Manganese(III) Porphyrins
    journal, April 2002

    • Benítez, Isa O.; Bujoli, Bruno; Camus, Laurent J.
    • Journal of the American Chemical Society, Vol. 124, Issue 16
    • DOI: 10.1021/ja017317z

    Sulfonated Microporous Organic−Inorganic Hybrids as Strong Bronsted Acids 1
    journal, August 2003

    • Wang, Zhike; Heising, Joy M.; Clearfield, Abraham
    • Journal of the American Chemical Society, Vol. 125, Issue 34
    • DOI: 10.1021/ja030226c

    Thermal Denaturing of Mutant Lysozyme with Both the OPLSAA and the CHARMM Force Fields
    journal, October 2006

    • Eleftheriou, Maria; Germain, Robert S.; Royyuru, Ajay K.
    • Journal of the American Chemical Society, Vol. 128, Issue 41
    • DOI: 10.1021/ja060972s

    Vapor-Phase Metalation by Atomic Layer Deposition in a Metal–Organic Framework
    journal, May 2013

    • Mondloch, Joseph E.; Bury, Wojciech; Fairen-Jimenez, David
    • Journal of the American Chemical Society, Vol. 135, Issue 28, p. 10294-10297
    • DOI: 10.1021/ja4050828

    An Exceptionally Stable, Porphyrinic Zr Metal–Organic Framework Exhibiting pH-Dependent Fluorescence
    journal, September 2013

    • Jiang, Hai-Long; Feng, Dawei; Wang, Kecheng
    • Journal of the American Chemical Society, Vol. 135, Issue 37
    • DOI: 10.1021/ja406844r

    Superacidity in Sulfated Metal–Organic Framework-808
    journal, September 2014

    • Jiang, Juncong; Gándara, Felipe; Zhang, Yue-Biao
    • Journal of the American Chemical Society, Vol. 136, Issue 37
    • DOI: 10.1021/ja507119n

    Topology-Guided Design and Syntheses of Highly Stable Mesoporous Porphyrinic Zirconium Metal–Organic Frameworks with High Surface Area
    journal, December 2014

    • Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin
    • Journal of the American Chemical Society, Vol. 137, Issue 1
    • DOI: 10.1021/ja5111317

    A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability
    journal, October 2008

    • Cavka, Jasmina Hafizovic; Jakobsen, Søren; Olsbye, Unni
    • Journal of the American Chemical Society, Vol. 130, Issue 42, p. 13850-13851
    • DOI: 10.1021/ja8057953

    Umbellate Distortions of the Uranyl Coordination Environment Result in a Stable and Porous Polycatenated Framework That Can Effectively Remove Cesium from Aqueous Solutions
    journal, May 2015

    • Wang, Yanlong; Liu, Zhiyong; Li, Yuxiang
    • Journal of the American Chemical Society, Vol. 137, Issue 19
    • DOI: 10.1021/jacs.5b02480

    A Water Stable Magnesium MOF That Conducts Protons over 10 –2 S cm –1
    journal, June 2015

    • Ramaswamy, Padmini; Wong, Norman E.; Gelfand, Benjamin S.
    • Journal of the American Chemical Society, Vol. 137, Issue 24
    • DOI: 10.1021/jacs.5b04399

    A Hafnium-Based Metal–Organic Framework as a Nature-Inspired Tandem Reaction Catalyst
    journal, October 2015

    • Beyzavi, M. Hassan; Vermeulen, Nicolaas A.; Howarth, Ashlee J.
    • Journal of the American Chemical Society, Vol. 137, Issue 42
    • DOI: 10.1021/jacs.5b08440

    Ultraporous, Water Stable, and Breathing Zirconium-Based Metal–Organic Frameworks with ftw Topology
    journal, September 2015

    • Deria, Pravas; Gómez-Gualdrón, Diego A.; Bury, Wojciech
    • Journal of the American Chemical Society, Vol. 137, Issue 40
    • DOI: 10.1021/jacs.5b08860

    Pyrazolate-Based Porphyrinic Metal–Organic Framework with Extraordinary Base-Resistance
    journal, January 2016

    • Wang, Kecheng; Lv, Xiu-Liang; Feng, Dawei
    • Journal of the American Chemical Society, Vol. 138, Issue 3
    • DOI: 10.1021/jacs.5b10881

    Highly Stable Zr(IV)-Based Metal–Organic Frameworks for the Detection and Removal of Antibiotics and Organic Explosives in Water
    journal, May 2016

    • Wang, Bin; Lv, Xiu-Liang; Feng, Dawei
    • Journal of the American Chemical Society, Vol. 138, Issue 19
    • DOI: 10.1021/jacs.6b01663

    Thermodynamically Guided Synthesis of Mixed-Linker Zr-MOFs with Enhanced Tunability
    journal, May 2016

    • Yuan, Shuai; Qin, Jun-Sheng; Zou, Lanfang
    • Journal of the American Chemical Society, Vol. 138, Issue 20
    • DOI: 10.1021/jacs.6b03263

    Highly Porous Zirconium Metal–Organic Frameworks with β-UH 3 -like Topology Based on Elongated Tetrahedral Linkers
    journal, June 2016

    • Zhang, Xin; Zhang, Xu; Johnson, Jacob A.
    • Journal of the American Chemical Society, Vol. 138, Issue 27
    • DOI: 10.1021/jacs.6b04608

    Efficient Removal and Recovery of Uranium by a Layered Organic–Inorganic Hybrid Thiostannate
    journal, September 2016

    • Feng, Mei-Ling; Sarma, Debajit; Qi, Xing-Hui
    • Journal of the American Chemical Society, Vol. 138, Issue 38
    • DOI: 10.1021/jacs.6b07351

    Urea-Induced Drying of Hydrophobic Nanotubes: Comparison of Different Urea Models
    journal, March 2011

    • Xiu, Peng; Yang, Zaixing; Zhou, Bo
    • The Journal of Physical Chemistry B, Vol. 115, Issue 12
    • DOI: 10.1021/jp108303q

    Single Mutation Induced H3N2 Hemagglutinin Antibody Neutralization: A Free Energy Perturbation Study
    journal, December 2008

    • Zhou, Ruhong; Das, Payel; Royyuru, Ajay K.
    • The Journal of Physical Chemistry B, Vol. 112, Issue 49
    • DOI: 10.1021/jp805529z

    Urea-Induced Drying of Carbon Nanotubes Suggests Existence of a Dry Globule-like Transient State During Chemical Denaturation of Proteins
    journal, April 2010

    • Das, Payel; Zhou, Ruhong
    • The Journal of Physical Chemistry B, Vol. 114, Issue 16
    • DOI: 10.1021/jp911444q

    Use of γ-zirconium phosphate for Cs removal from radioactive waste
    journal, October 1982

    • Komarneni, Sridhar; Roy, Rustum
    • Nature, Vol. 299, Issue 5885
    • DOI: 10.1038/299707a0

    Reticular synthesis and the design of new materials
    journal, June 2003

    • Yaghi, Omar M.; O'Keeffe, Michael; Ockwig, Nathan W.
    • Nature, Vol. 423, Issue 6941, p. 705-714
    • DOI: 10.1038/nature01650

    Observation of a dewetting transition in the collapse of the melittin tetramer
    journal, September 2005


    A phase transformable ultrastable titanium-carboxylate framework for photoconduction
    journal, April 2018


    Parameter-free calculations of X-ray spectra with FEFF9
    journal, January 2010

    • Rehr, John J.; Kas, Joshua J.; Vila, Fernando D.
    • Physical Chemistry Chemical Physics, Vol. 12, Issue 21
    • DOI: 10.1039/b926434e

    MOF-76: from a luminescent probe to highly efficient UVI sorption material
    journal, January 2013

    • Yang, Weiting; Bai, Zhi-Qiang; Shi, Wei-Qun
    • Chemical Communications, Vol. 49, Issue 88
    • DOI: 10.1039/c3cc44983a

    Highly porous and stable metal–organic frameworks for uranium extraction
    journal, January 2013

    • Carboni, Michaël; Abney, Carter W.; Liu, Shubin
    • Chemical Science, Vol. 4, Issue 6, p. 2396-2402
    • DOI: 10.1039/c3sc50230a

    The use of a rigid tritopic phosphonic ligand for the synthesis of a robust honeycomb-like layered zirconium phosphonate framework
    journal, January 2014

    • Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo
    • Chem. Commun., Vol. 50, Issue 43
    • DOI: 10.1039/c4cc01253d

    Crystalline and permanently porous porphyrin-based metal tetraphosphonates
    journal, January 2018

    • Rhauderwiek, Timo; Wolkersdörfer, Konrad; Øien-Ødegaard, Sigurd
    • Chemical Communications, Vol. 54, Issue 4
    • DOI: 10.1039/c7cc07766a

    Constructing semiconductive crystalline microporous materials by Coulomb interactions
    journal, January 2017

    • Wang, Guan-E; Yao, Ming-Shui; Cai, Min-Lan
    • Journal of Materials Chemistry A, Vol. 5, Issue 35
    • DOI: 10.1039/c7ta05805e

    An easily synthesized microporous framework material for the selective capture of radioactive Cs + and Sr 2+ ions
    journal, January 2018

    • Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo
    • Journal of Materials Chemistry A, Vol. 6, Issue 9
    • DOI: 10.1039/c7ta11208d

    A uranyl phosphonate framework with a temperature-induced order–disorder transition and temperature-correlated photoluminescence
    journal, January 2018

    • Wang, Yi; Wang, Xiangxiang; Zhang, Dongya
    • CrystEngComm, Vol. 20, Issue 23
    • DOI: 10.1039/c8ce00450a

    Single-crystal-to-single-crystal desolvation in a Ti 32 nanoring cluster
    journal, January 2018

    • Wang, Xiangxiang; Gui, Daxiang; Zhai, Fuwan
    • CrystEngComm, Vol. 20, Issue 44
    • DOI: 10.1039/c8ce00717a

    An ingenious one-dimensional zirconium phosphonate with efficient strontium exchange capability and moderate proton conductivity
    journal, January 2018

    • Zhang, Jiarong; Chen, Lanhua; Gui, Daxiang
    • Dalton Transactions, Vol. 47, Issue 15
    • DOI: 10.1039/c8dt00508g

    Two novel organic phosphorous-based MOFs: synthesis, characterization and photocatalytic properties
    journal, January 2019

    • Zeng, Tianyu; Wang, Liwen; Feng, Lu
    • Dalton Transactions, Vol. 48, Issue 2
    • DOI: 10.1039/c8dt04106g

    A water-stable Ni( ii ) diphosphonate exhibiting water vapor adsorption and water-assisted high proton conductivity
    journal, January 2019

    • Xu, Hailong; Feng, Lu; Huang, Wentao
    • New Journal of Chemistry, Vol. 43, Issue 2
    • DOI: 10.1039/c8nj04776f

    Highly stable and porous porphyrin-based zirconium and hafnium phosphonates – electron crystallography as an important tool for structure elucidation
    journal, January 2018

    • Rhauderwiek, Timo; Zhao, Haishuang; Hirschle, Patrick
    • Chemical Science, Vol. 9, Issue 24
    • DOI: 10.1039/c8sc01533c

    Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe
    journal, February 2001

    • Martin, Jan M. L.; Sundermann, Andreas
    • The Journal of Chemical Physics, Vol. 114, Issue 8
    • DOI: 10.1063/1.1337864

    Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
    journal, March 1972

    • Hehre, W. J.; Ditchfield, R.; Pople, J. A.
    • The Journal of Chemical Physics, Vol. 56, Issue 5, p. 2257-2261
    • DOI: 10.1063/1.1677527

    Canonical sampling through velocity rescaling
    journal, January 2007

    • Bussi, Giovanni; Donadio, Davide; Parrinello, Michele
    • The Journal of Chemical Physics, Vol. 126, Issue 1
    • DOI: 10.1063/1.2408420

    Comparison of simple potential functions for simulating liquid water
    journal, July 1983

    • Jorgensen, William L.; Chandrasekhar, Jayaraman; Madura, Jeffry D.
    • The Journal of Chemical Physics, Vol. 79, Issue 2
    • DOI: 10.1063/1.445869

    Density‐functional thermochemistry. III. The role of exact exchange
    journal, April 1993

    • Becke, Axel D.
    • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
    • DOI: 10.1063/1.464913

    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

    Electrostatic gating of a nanometer water channel
    journal, February 2007

    • Li, J.; Gong, X.; Lu, H.
    • Proceedings of the National Academy of Sciences, Vol. 104, Issue 10
    • DOI: 10.1073/pnas.0604541104

    Water-mediated signal multiplication with Y-shaped carbon nanotubes
    journal, October 2009

    • Tu, Y.; Xiu, P.; Wan, R.
    • Proceedings of the National Academy of Sciences, Vol. 106, Issue 43
    • DOI: 10.1073/pnas.0902676106

    Aggregation of  -crystallins associated with human cataracts via domain swapping at the C-terminal  -strands
    journal, June 2011

    • Das, P.; King, J. A.; Zhou, R.
    • Proceedings of the National Academy of Sciences, Vol. 108, Issue 26
    • DOI: 10.1073/pnas.1019152108

    Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    journal, January 1988


    Hydrophobic Collapse in Multidomain Protein Folding
    journal, September 2004


    Large-Pore Apertures in a Series of Metal-Organic Frameworks
    journal, May 2012


    Alzheimer's Disease: Genes, Proteins, and Therapy
    journal, April 2001


    New Directions in Metal Phosphonate and Phosphinate Chemistry
    journal, May 2019

    • Shearan, Stephen J. I.; Stock, Norbert; Emmerling, Franziska
    • Crystals, Vol. 9, Issue 5
    • DOI: 10.3390/cryst9050270

      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.