Mechanism and Kinetics for Reaction of the Chemical Warfare Agent Simulant, DMMP(g), with Zirconium(IV) MOFs: An Ultrahigh-Vacuum and DFT Study

Wang, G.; Sharp, C.; Plonka, A. M.; Wang, Q.; Frenkel, A. I.; Guo, W.; Hill, C.; Smith, C.; Kollar, J.; Troya, D.; Morris, J. R.

doi:10.1021/acs.jpcc.7b00070

Mechanism and Kinetics for Reaction of the Chemical Warfare Agent Simulant, DMMP(g), with Zirconium(IV) MOFs: An Ultrahigh-Vacuum and DFT Study

Journal Article · Mon Apr 10 00:00:00 EDT 2017 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.7b00070· OSTI ID:1368346

Wang, G. ^[1]; ^[1]; ^[2]; Wang, Q. ^[2]; ^[2]; Guo, W. ^[3]; ^[3]; Smith, C. ^[1]; Kollar, J. ^[4]; ^[1]; ^[1]

Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
Stony Brook Univ., NY (United States)
Emory Univ., Atlanta, GA (United States)
Kennesaw State Univ., GA (United States)

The mechanism and kinetics of interactions between dimethyl methylphosphonate (DMMP), a key chemical warfare agent (CWA) simulant, and Zr₆-based metal organic frameworks (MOFs) have been investigated with in situ infrared spectroscopy (IR), X-ray photoelectron spectroscopy (XPS), powder X-ray diffraction (PXRD), and DFT calculations. DMMP was found to adsorb molecularly to UiO-66 through the formation of hydrogen bonds between the phosphoryl oxygen and the free hydroxyl groups associated with Zr₆ nodes on the surface of crystallites and not within the bulk MOF structure. Unlike UiO-66, the infrared spectra for UiO-67 and MOF-808, recorded during DMMP exposure, suggest that uptake occurs through both physisorption and chemisorption. The XPS spectra of MOF-808 zirconium 3d electrons reveal a charge redistribution following exposure to DMMP. In addition, analysis of the phosphorus 2p electrons following exposure and thermal annealing to 600 K indicates that two types of stable phosphorus-containing species exist within the MOF. DFT calculations, used to guide the IR band assignments and to help interpret the XPS features, suggest that uptake is driven by nucleophilic addition of an OH group to DMMP with subsequent elimination of a methoxy substituent to form strongly bound methyl methylphosphonic acid (MMPA). The rates of product formation indicate that there are likely two distinct uptake processes, requiring rate constants that differ by approximately an order of magnitude. However, the rates of molecular uptake were found to be nearly identical to the rates of reaction, which strongly suggests that the reaction rates are diffusion-limited. Here, the final products were found to inhibit further reactions within the MOFs, and these products could not be thermally driven from the MOFs prior to decomposition of the MOFs themselves.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1368346

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 21 Vol. 121; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

References (70)

Simple and Compelling Biomimetic Metal-Organic Framework Catalyst for the Degradation of Nerve Agent Simulants Katz, Michael J.; Mondloch, Joseph E.; Totten, Ryan K. Angewandte Chemie International Edition, Vol. 53, Issue 2, p. 497-501 https://doi.org/10.1002/anie.201307520	journal	November 2013
Instantaneous Hydrolysis of Nerve-Agent Simulants with a Six-Connected Zirconium-Based Metal-Organic Framework Moon, Su-Young; Liu, Yangyang; Hupp, Joseph T. Angewandte Chemie International Edition, Vol. 54, Issue 23 https://doi.org/10.1002/anie.201502155	journal	May 2015
Definitive Molecular Level Characterization of Defects in UiO-66 Crystals Trickett, Christopher A.; Gagnon, Kevin J.; Lee, Seungkyu Angewandte Chemie International Edition, Vol. 54, Issue 38 https://doi.org/10.1002/anie.201505461	journal	August 2015
Detoxification of Chemical Warfare Agents Using a Zr ₆ -Based Metal-Organic Framework/Polymer Mixture Moon, Su-Young; Proussaloglou, Emmanuel; Peterson, Gregory W. Chemistry - A European Journal, Vol. 22, Issue 42 https://doi.org/10.1002/chem.201603976	journal	September 2016
Experimental Innovations in Surface Science Yates, John T. Springer Cham https://doi.org/10.1007/978-3-319-17668-0	book	January 2015
The role of heterogeneity in the kinetics of a surface reactionI. Infrared characterization of the adsorption structures of organophosphonates and their decomposition Kuiper, A.; Vanbokhoven, J.; Medema, J. Journal of Catalysis, Vol. 43, Issue 1-3 https://doi.org/10.1016/0021-9517(76)90302-X	journal	June 1976
Acidity of zirconium oxide and sulfated ZrO2 samples Bensitel, M.; Saur, O.; Lavalley, J. C. Materials Chemistry and Physics, Vol. 17, Issue 3 https://doi.org/10.1016/0254-0584(87)90147-7	journal	June 1987
Fundamental frequencies and molecular configuration of biphenyl—II Normal coordinates Zerbi, G.; Sandroni, S. Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 24, Issue 5 https://doi.org/10.1016/0584-8539(68)80085-6	journal	May 1968
Infrared and Raman spectroscopic study of terephthalic acid adsorbed on silver surfaces Lee, Myung Won; Kim, Myung Soo; Kim, Kwan Journal of Molecular Structure, Vol. 415, Issue 1-2 https://doi.org/10.1016/S0022-2860(97)00081-1	journal	August 1997
Oxidative decontamination of chemical and biological warfare agents using L-Gel Raber, Ellen; McGuire, Raymond Journal of Hazardous Materials, Vol. 93, Issue 3 https://doi.org/10.1016/S0304-3894(02)00051-1	journal	August 2002
Infrared study of alcohols adsorption on zirconium oxide: reactivity of alkoxy species towards CO2 Bensitel, Mohammed; Moraver, Vladimir; Lamotte, Jean Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 43, Issue 12 https://doi.org/10.1016/S0584-8539(87)80035-1	journal	January 1987
Interaction of organophosphorous compounds with TiO2 and WO3 surfaces probed by vibrational spectroscopy Kim, Chung S.; Lad, Robert J.; Tripp, Carl P. Sensors and Actuators B: Chemical, Vol. 76, Issue 1-3 https://doi.org/10.1016/S0925-4005(01)00653-0	journal	June 2001
Fourier transform infrared and Raman spectra, vibrational assignment and ab initio calculations of terephthalic acid and related compounds Téllez S., Claudio A.; Hollauer, Eduardo; Mondragon, M. A. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 57, Issue 5 https://doi.org/10.1016/S1386-1425(00)00428-5	journal	April 2001
Surface decontamination for blister agents Lewisite, sulfur mustard and agent yellow, a Lewisite and sulfur mustard mixture Stone, Harry; See, David; Smiley, Autumn Journal of Hazardous Materials, Vol. 314 https://doi.org/10.1016/j.jhazmat.2016.04.020	journal	August 2016
Facile synthesis of metal-organic framework MOF-808 for arsenic removal Li, Zong-Qun; Yang, Ji-Chao; Sui, Ke-Wen Materials Letters, Vol. 160 https://doi.org/10.1016/j.matlet.2015.08.004	journal	December 2015
Dimethyl methylphosphonate decomposition on fully oxidized and partially reduced ceria thin films Chen, Donna A.; Ratliff, Jay S.; Hu, Xiaofeng Surface Science, Vol. 604, Issue 5-6 https://doi.org/10.1016/j.susc.2009.12.028	journal	March 2010
Computational study of the adsorption of dimethyl methylphosphonate (DMMP) on the (010) surface of anatase TiO2 with and without faceting Bermudez, V. M. Surface Science, Vol. 604, Issue 7-8 https://doi.org/10.1016/j.susc.2010.01.021	journal	April 2010
Effective, Facile, and Selective Hydrolysis of the Chemical Warfare Agent VX Using Zr ₆ -Based Metal–Organic Frameworks Moon, Su-Young; Wagner, George W.; Mondloch, Joseph E. Inorganic Chemistry, Vol. 54, Issue 22 https://doi.org/10.1021/acs.inorgchem.5b01813	journal	October 2015
Electron Spectroscopy and Computational Studies of Dimethyl Methylphosphonate Head, Ashley R.; Tsyshevsky, Roman; Trotochaud, Lena The Journal of Physical Chemistry A, Vol. 120, Issue 12 https://doi.org/10.1021/acs.jpca.6b01098	journal	March 2016
Adsorption of Substituted Benzene Derivatives on Silica: Effects of Electron Withdrawing and Donating Groups Abelard, Joshua; Wilmsmeyer, Amanda R.; Edwards, Angela C. The Journal of Physical Chemistry C, Vol. 120, Issue 24 https://doi.org/10.1021/acs.jpcc.6b02028	journal	June 2016
Reaction Mechanism of Nerve-Agent Hydrolysis with the Cs ₈ Nb ₆ O ₁₉ Lindqvist Hexaniobate Catalyst Chapleski, Robert C.; Musaev, Djamaladdin G.; Hill, Craig L. The Journal of Physical Chemistry C, Vol. 120, Issue 30 https://doi.org/10.1021/acs.jpcc.6b05528	journal	July 2016
Reaction Mechanism of Nerve-Agent Decomposition with Zr-Based Metal Organic Frameworks Troya, Diego The Journal of Physical Chemistry C, Vol. 120, Issue 51 https://doi.org/10.1021/acs.jpcc.6b10530	journal	December 2016
Modular Chemistry: Secondary Building Units as a Basis for the Design of Highly Porous and Robust Metal−Organic Carboxylate Frameworks Eddaoudi, Mohamed; Moler, David B.; Li, Hailian Accounts of Chemical Research, Vol. 34, Issue 4, p. 319-330 https://doi.org/10.1021/ar000034b	journal	April 2001
Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal–Organic Frameworks Øien, Sigurd; Wragg, David; Reinsch, Helge Crystal Growth & Design, Vol. 14, Issue 11 https://doi.org/10.1021/cg501386j	journal	October 2014
Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory Valenzano, Loredana; Civalleri, Bartolomeo; Chavan, Sachin Chemistry of Materials, Vol. 23, Issue 7, p. 1700-1718 https://doi.org/10.1021/cm1022882	journal	April 2011
Decontamination of chemical warfare agents Yang, Yu Chu; Baker, James A.; Ward, J. Richard Chemical Reviews, Vol. 92, Issue 8 https://doi.org/10.1021/cr00016a003	journal	December 1992
Decontamination of Chemical Warfare Agents Using Household Chemicals Wagner, George Wayne Industrial & Engineering Chemistry Research, Vol. 50, Issue 21 https://doi.org/10.1021/ie201297e	journal	November 2011
Silica-Supported Zirconia. 1. Characterization by Infrared Spectroscopy, Temperature-Programmed Desorption, and X-ray Diffraction Dang, Z.; Anderson, B. G.; Amenomiya, Y. The Journal of Physical Chemistry, Vol. 99, Issue 39 https://doi.org/10.1021/j100039a036	journal	September 1995
Adsorption and decomposition of dimethyl methylphosphonate on an aluminum oxide surface Templeton, M. K.; Weinberg, W. H. Journal of the American Chemical Society, Vol. 107, Issue 1 https://doi.org/10.1021/ja00287a018	journal	January 1985
Decomposition of phosphonate esters adsorbed on aluminum oxide Templeton, M. K.; Weinberg, W. Henry Journal of the American Chemical Society, Vol. 107, Issue 4 https://doi.org/10.1021/ja00290a006	journal	February 1985
Water Adsorption in Porous Metal–Organic Frameworks and Related Materials Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao Journal of the American Chemical Society, Vol. 136, Issue 11, p. 4369-4381 https://doi.org/10.1021/ja500330a	journal	March 2014
A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability Cavka, Jasmina Hafizovic; Jakobsen, Søren; Olsbye, Unni Journal of the American Chemical Society, Vol. 130, Issue 42, p. 13850-13851 https://doi.org/10.1021/ja8057953	journal	October 2008
In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Zr-Based Metal Organic Frameworks Plonka, Anna M.; Wang, Qi; Gordon, Wesley O. Journal of the American Chemical Society, Vol. 139, Issue 2 https://doi.org/10.1021/jacs.6b11373	journal	January 2017
Adsorption and Decomposition of Dimethyl Methylphosphonate on Y 2 O 3 Nanoparticles Gordon, Wesley O.; Tissue, Brian M.; Morris, John R. The Journal of Physical Chemistry C, Vol. 111, Issue 8 https://doi.org/10.1021/jp0650376	journal	January 2007
Quantum-Chemical Study of the Adsorption of DMMP and Sarin on γ-Al ₂ O ₃ Bermudez, V. M. The Journal of Physical Chemistry C, Vol. 111, Issue 9 https://doi.org/10.1021/jp066439g	journal	February 2007
Infrared Spectra and Binding Energies of Chemical Warfare Nerve Agent Simulants on the Surface of Amorphous Silica Wilmsmeyer, Amanda R.; Gordon, Wesley O.; Davis, Erin Durke The Journal of Physical Chemistry C, Vol. 117, Issue 30 https://doi.org/10.1021/jp404265s	journal	July 2013
Adsorption of 2-Chloroethyl Ethyl Sulfide on Silica: Binding Mechanism and Energy of a Bifunctional Hydrogen-Bond Acceptor at the Gas–Surface Interface Abelard, Joshua; Wilmsmeyer, Amanda R.; Edwards, Angela C. The Journal of Physical Chemistry C, Vol. 119, Issue 1 https://doi.org/10.1021/jp509516x	journal	December 2014
Computational Study of Environmental Effects in the Adsorption of DMMP, Sarin, and VX on γ-Al ₂ O ₃ : Photolysis and Surface Hydroxylation Bermudez, V. M. The Journal of Physical Chemistry C, Vol. 113, Issue 5 https://doi.org/10.1021/jp809053u	journal	January 2009
Ab Initio Study of the Interaction of Dimethyl Methylphosphonate with Rutile (110) and Anatase (101) TiO ₂ Surfaces Bermudez, V. M. The Journal of Physical Chemistry C, Vol. 114, Issue 7 https://doi.org/10.1021/jp9098304	journal	February 2010
Adsorption and Decomposition of Dimethyl Methylphosphonate on Metal Oxides Mitchell, Mark B.; Sheinker, V. N.; Mintz, Eric A. The Journal of Physical Chemistry B, Vol. 101, Issue 51 https://doi.org/10.1021/jp972724b	journal	December 1997
Exceptional Mechanical Stability of Highly Porous Zirconium Metal–Organic Framework UiO-66 and Its Important Implications Wu, Hui; Yildirim, Taner; Zhou, Wei The Journal of Physical Chemistry Letters, Vol. 4, Issue 6 https://doi.org/10.1021/jz4002345	journal	March 2013
Surface chemistry of zirconia polymorphs Hertl, William Langmuir, Vol. 5, Issue 1 https://doi.org/10.1021/la00085a018	journal	January 1989
Interaction of dimethyl methylphosphonate with metal oxides Aurian-Blajeni, B.; Boucher, M. M. Langmuir, Vol. 5, Issue 1 https://doi.org/10.1021/la00085a032	journal	January 1989
An Infrared Study of Adsorbed Organophosphonates on Silica: A Prefiltering Strategy for the Detection of Nerve Agents on Metal Oxide Sensors Kanan, Sofian M.; Tripp, Carl P. Langmuir, Vol. 17, Issue 7 https://doi.org/10.1021/la001624l	journal	April 2001
Interactions and Binding Energies of Dimethyl Methylphosphonate and Dimethyl Chlorophosphate with Amorphous Silica Wilmsmeyer, Amanda R.; Uzarski, Joshua; Barrie, Patrick J. Langmuir, Vol. 28, Issue 30 https://doi.org/10.1021/la301938f	journal	July 2012
Design and synthesis of an exceptionally stable and highly porous metal-organic framework Li, Hailian; Eddaoudi, Mohamed; M., O'Keeffe Nature, Vol. 402, Issue 6759, p. 276-279 https://doi.org/10.1038/46248	journal	November 1999
Correlated defect nanoregions in a metal–organic framework Cliffe, Matthew J.; Wan, Wei; Zou, Xiaodong Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5176	journal	June 2014
Destruction of chemical warfare agents using metal–organic frameworks Mondloch, Joseph E.; Katz, Michael J.; Isley III, William C. Nature Materials, Vol. 14, Issue 5 https://doi.org/10.1038/nmat4238	journal	March 2015
H ₂ storage in isostructural UiO-67 and UiO-66 MOFs Chavan, Sachin; Vitillo, Jenny G.; Gianolio, Diego Phys. Chem. Chem. Phys., Vol. 14, Issue 5 https://doi.org/10.1039/C1CP23434J	journal	January 2012
Gas-surface reactions of nitrate radicals with vinyl-terminated self-assembled monolayers Zhang, Yafen; Chapleski, Robert C.; Lu, Jessica W. Phys. Chem. Chem. Phys., Vol. 16, Issue 31 https://doi.org/10.1039/C4CP01982B	journal	January 2014
A significant enhancement of water vapour uptake at low pressure by amine-functionalization of UiO-67 Ko, Nakeun; Hong, Jisu; Sung, Siyoung Dalton Transactions, Vol. 44, Issue 5 https://doi.org/10.1039/C4DT02582B	journal	January 2015
Synthesis of nanocrystals of Zr-based metal–organic frameworks with csq-net: significant enhancement in the degradation of a nerve agent simulant Li, Peng; Klet, Rachel C.; Moon, Su-Young Chem. Commun., Vol. 51, Issue 54 https://doi.org/10.1039/C5CC03398E	journal	January 2015
Dynamic acidity in defective UiO-66 Ling, Sanliang; Slater, Ben Chemical Science, Vol. 7, Issue 7 https://doi.org/10.1039/C5SC04953A	journal	January 2016
Metal–organic framework materials as catalysts Lee, JeongYong; Farha, Omar K.; Roberts, John Chemical Society Reviews, Vol. 38, Issue 5, p. 1450-1459 https://doi.org/10.1039/b807080f	journal	January 2009
N,N-Dimethylformamide-stabilized gold nanoclusters as a catalyst for the reduction of 4-nitrophenol Yamamoto, H.; Yano, H.; Kouchi, H. Nanoscale, Vol. 4, Issue 14 https://doi.org/10.1039/c2nr30222e	journal	January 2012
Incorporation of metal–organic framework UiO-66 into porous polymer monoliths to enhance the liquid chromatographic separation of small molecules Fu, Yan-Yan; Yang, Cheng-Xiong; Yan, Xiu-Ping Chemical Communications, Vol. 49, Issue 64 https://doi.org/10.1039/c3cc43017k	journal	January 2013
A facile synthesis of UiO-66, UiO-67 and their derivatives Katz, Michael J.; Brown, Zachary J.; Colón, Yamil J. Chemical Communications, Vol. 49, Issue 82 https://doi.org/10.1039/c3cc46105j	journal	January 2013
Stability and degradation mechanisms of metal–organic frameworks containing the Zr6O4(OH)4 secondary building unit DeCoste, Jared B.; Peterson, Gregory W.; Jasuja, Himanshu Journal of Materials Chemistry A, Vol. 1, Issue 18 https://doi.org/10.1039/c3ta10662d	journal	January 2013
Tuning pore size in a zirconium–tricarboxylate metal–organic framework Liang, Weibin; Chevreau, Hubert; Ragon, Florence CrystEngComm, Vol. 16, Issue 29 https://doi.org/10.1039/c4ce01031k	journal	January 2014
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions Zhao, Yan; Truhlar, Donald G. The Journal of Chemical Physics, Vol. 125, Issue 19, Article No. 194101 https://doi.org/10.1063/1.2370993	journal	November 2006
Structural dynamics inside a functionalized metal–organic framework probed by ultrafast 2D IR spectroscopy Nishida, Jun; Tamimi, Amr; Fei, Honghan Proceedings of the National Academy of Sciences, Vol. 111, Issue 52 https://doi.org/10.1073/pnas.1422194112	journal	December 2014
Fourier transform infrared spectral study of N,N′-dimethylformamide-water-rhodamine 6G mixture Sharma, A.; Kaur, S.; Mahajan, C. G. Molecular Physics, Vol. 105, Issue 1 https://doi.org/10.1080/00268970601146856	journal	January 2007
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Alcohol Interaction with Zirconia Powders Kaliszewski, Mary Sue; Heuer, Arthur H. Journal of the American Ceramic Society, Vol. 73, Issue 6 https://doi.org/10.1111/j.1151-2916.1990.tb09787.x	journal	June 1990
Ultrahigh Porosity in Metal-Organic Frameworks Furukawa, H.; Ko, N.; Go, Y. B. Science, Vol. 329, Issue 5990, p. 424-428 https://doi.org/10.1126/science.1192160	journal	July 2010
Infrared Study of Surface Hydroxyl Groups on Zirconium Oxide Yamaguchi, Tsutomu; Nakano, Yasuko; Tanabe, Kozo Bulletin of the Chemical Society of Japan, Vol. 51, Issue 9 https://doi.org/10.1246/bcsj.51.2482	journal	September 1978
Decontamination of Chemical and Biological Warfare Agents Seto, Yasuo YAKUGAKU ZASSHI, Vol. 129, Issue 1 https://doi.org/10.1248/yakushi.129.53	journal	January 2009
Crystallographic Computing System JANA2006: General features Petříček, Václav; Dušek, Michal; Palatinus, Lukáš Zeitschrift für Kristallographie - Crystalline Materials, Vol. 229, Issue 5 https://doi.org/10.1515/zkri-2014-1737	journal	January 2014
Chemical Warfare Agent Degradation and Decontamination Talmage, S.; Watson, A.; Hauschild, V. Current Organic Chemistry, Vol. 11, Issue 3 https://doi.org/10.2174/138527207779940892	journal	February 2007
The Geneva Conventions of 1949 Yingling, Raymund T.; Ginnane, Robert W. American Journal of International Law, Vol. 46, Issue 3 https://doi.org/10.2307/2194498	journal	July 1952

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