Influence of the primary and secondary coordination spheres on nitric oxide adsorption and reactivity in cobalt(ii)–triazolate frameworks

Oktawiec, Julia; Jiang, Henry H.; Turkiewicz, Ari B.; Long, Jeffrey R.

doi:10.1039/d1sc03994f

Title: Influence of the primary and secondary coordination spheres on nitric oxide adsorption and reactivity in cobalt(ii)–triazolate frameworks

Journal Article · 19 October 2021 · Chemical Science

DOI: https://doi.org/10.1039/d1sc03994f · OSTI ID:1827768

^[1]; Jiang, Henry H. ^[1];

^[1];

^[2]

Univ. of California, Berkeley, CA (United States)
Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Nitric oxide (NO) is an important signaling molecule in biological systems, and as such, the ability of porous materials to reversibly adsorb NO is of interest for potential medical applications. Although certain metal–organic frameworks are known to bind NO reversibly at coordinatively unsaturated metal sites, the influence of the metal coordination environment on NO adsorption has not been studied in detail. Here, we examine NO adsorption in the frameworks Co₂Cl₂(bbta) (H₂bbta = 1H,5H-benzo(1,2-d:4,5-d')bistriazole) and Co₂(OH)₂(bbta) using gas adsorption, infrared spectroscopy, powder X-ray diffraction, and magnetometry. At room temperature, NO adsorbs reversibly in Co₂Cl₂(bbta) without electron transfer, with low temperature data supporting spin-crossover of the NO-bound cobalt(II) centers of the material. In contrast, adsorption of low pressures of NO in Co₂(OH)₂(bbta) is accompanied by charge transfer from the cobalt(II) centers to form a cobalt(III)–NO^- adduct, as supported by diffraction and infrared spectroscopy data. At higher pressures of NO, characterization data indicate additional uptake of the gas and disproportionation of the bound NO to form a cobalt(III)–nitro (NO₂^-) species and N₂O gas, a transformation that appears to be facilitated by secondary sphere hydrogen bonding interactions between the bound NO₂^- and framework hydroxo groups. These results provide a rare example of reductive NO binding in a cobalt-based metal–organic framework, and they demonstrate that NO uptake can be tuned by changing the primary and secondary coordination environment of the framework metal centers.

View Journal Article

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: SC0019992; AC02-06CH11357; DGE 1752814; AC02-05CH11231

OSTI ID:: 1827768

Alternate ID(s):: OSTI ID: 1841197; OSTI ID: 1896885

Journal Information:: Chemical Science, Vol. 12, Issue 43; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

References (60)

Dual effect of nitric oxide on SARS-CoV replication: Viral RNA production and palmitoylation of the S protein are affected Åkerström, Sara; Gunalan, Vithiagaran; Keng, Choong Tat Virology, Vol. 395, Issue 1 https://doi.org/10.1016/j.virol.2009.09.007	journal	December 2009
Metal organic frameworks as NO delivery materials for biological applications Hinks, Nathan J.; McKinlay, Alistair C.; Xiao, Bo Microporous and Mesoporous Materials, Vol. 129, Issue 3 https://doi.org/10.1016/j.micromeso.2009.04.031	journal	April 2010
Conversion of Nitric Oxide into Nitrous Oxide as Triggered by the Polarization of Coordinated NO by Hydrogen Bonding Chuang, Chuan-Hung; Liaw, Wen-Feng; Hung, Chen-Hsiung Angewandte Chemie International Edition, Vol. 55, Issue 17 https://doi.org/10.1002/anie.201512063	journal	March 2016
Metalloenzymes of the denitrification pathway Tavares, P.; Pereira, A. S.; Moura, J. J. G. Journal of Inorganic Biochemistry, Vol. 100, Issue 12 https://doi.org/10.1016/j.jinorgbio.2006.09.003	journal	December 2006
Metal-ligand bond length changes upon doublet .tautm. quartet spin crossovers in six-coordinate cobalt(II) complexes: an EXAFS investigation Thuery, Pierre; Zarembowitch, Jacqueline; Michalowicz, Alain Inorganic Chemistry, Vol. 26, Issue 6 https://doi.org/10.1021/ic00253a016	journal	March 1987
Tuning the Redox Activity of Metal–Organic Frameworks for Enhanced, Selective O ₂ Binding: Design Rules and Ambient Temperature O ₂ Chemisorption in a Cobalt–Triazolate Framework Rosen, Andrew S.; Mian, M. Rasel; Islamoglu, Timur Journal of the American Chemical Society, Vol. 142, Issue 9 https://doi.org/10.1021/jacs.9b12401	journal	February 2020
Redetermination of the X-ray structure of nitroxylcobalamin: base-on nitroxylcobalamin exhibits a remarkably long Co–N(dimethylbenzimidazole) bond distance Hassanin, Hanaa A.; El-Shahat, Mohamed F.; DeBeer, Serena Dalton Transactions, Vol. 39, Issue 44 https://doi.org/10.1039/c0dt00628a	journal	January 2010
Synthesis, Culture Medium Stability, and In Vitro and In Vivo Zebrafish Embryo Toxicity of Metal-Organic Framework Nanoparticles Ruyra, Àngels; Yazdi, Amirali; Espín, Jordi Chemistry - A European Journal, Vol. 21, Issue 6 https://doi.org/10.1002/chem.201405380	journal	December 2014
High-Capacity Hydrogen and Nitric Oxide Adsorption and Storage in a Metal−Organic Framework Xiao, Bo; Wheatley, Paul S.; Zhao, Xuebo Journal of the American Chemical Society, Vol. 129, Issue 5 https://doi.org/10.1021/ja066098k	journal	February 2007
Nitroxylcob(III)alamin: Synthesis and X-ray Structural Characterization Hannibal, Luciana; Smith, Clyde A.; Jacobsen, Donald W. Angewandte Chemie International Edition, Vol. 46, Issue 27 https://doi.org/10.1002/anie.200701131	journal	July 2007
cGMP-Dependent Protein Kinases and cGMP Phosphodiesterases in Nitric Oxide and cGMP Action Francis, Sharron H.; Busch, Jennifer L.; Corbin, Jackie D. Pharmacological Reviews, Vol. 62, Issue 3 https://doi.org/10.1124/pr.110.002907	journal	August 2010
Kinetics and Mechanism of the Reversible Binding of Nitric Oxide to Reduced Cobalamin B _12r (Cob(II)alamin) Wolak, Maria; Zahl, Achim; Schneppensieper, Thorsten Journal of the American Chemical Society, Vol. 123, Issue 40 https://doi.org/10.1021/ja010530a	journal	September 2001
Reactions of Nitric Oxide with Metalloproteins Radi, Rafael Chemical Research in Toxicology, Vol. 9, Issue 5 https://doi.org/10.1021/tx950176s	journal	January 1996
Research on new DeNOx catalysts for automotive engines Matsumoto, S.; Yokota, K.; Doi, H. Catalysis Today, Vol. 22, Issue 1 https://doi.org/10.1016/0920-5861(94)80097-9	journal	December 1994
NO Disproportionation at a Mononuclear Site-Isolated Fe ²⁺ Center in Fe ²⁺ -MOF-5 Brozek, Carl K.; Miller, Jeffrey T.; Stoian, Sebastian A. Journal of the American Chemical Society, Vol. 137, Issue 23 https://doi.org/10.1021/jacs.5b03761	journal	June 2015
Recent developments in nitric oxide donor drugs: NO donor drugs Miller, M. R.; Megson, I. L. British Journal of Pharmacology, Vol. 151, Issue 3 https://doi.org/10.1038/sj.bjp.0707224	journal	June 2007
The reduction potential of nitric oxide (NO) and its importance to NO biochemistry Bartberger, M. D.; Liu, W.; Ford, E. Proceedings of the National Academy of Sciences, Vol. 99, Issue 17 https://doi.org/10.1073/pnas.162095599	journal	August 2002
The Molecule of the Year Koshland, Daniel E. Science, Vol. 258, Issue 5090 https://doi.org/10.1126/science.1470903	journal	December 1992
Inhalation of Nitric Oxide in the Treatment of Severe Acute Respiratory Syndrome: A Rescue Trial in Beijing Chen, L.; Liu, P.; Gao, H. Clinical Infectious Diseases, Vol. 39, Issue 10 https://doi.org/10.1086/425357	journal	November 2004
Thermodynamics of oxygen binding in natural and synthetic dioxygen complexes Niederhoffer, Eric C.; Timmons, James H.; Martell, Arthur E. Chemical Reviews, Vol. 84, Issue 2 https://doi.org/10.1021/cr00060a003	journal	April 1984
Rational design of a structural and functional nitric oxide reductase Yeung, Natasha; Lin, Ying-Wu; Gao, Yi-Gui Nature, Vol. 462, Issue 7276 https://doi.org/10.1038/nature08620	journal	November 2009
Nitric oxide interactions with cobalamins: biochemical and functional consequences Brouwer, M.; Chamulitrat, W.; Ferruzzi, G. Blood, Vol. 88, Issue 5 https://doi.org/10.1182/blood.V88.5.1857.1857	journal	September 1996
Introduction to Metal–Organic Frameworks Zhou, Hong-Cai; Long, Jeffrey R.; Yaghi, Omar M. Chemical Reviews, Vol. 112, Issue 2, p. 673-674 https://doi.org/10.1021/cr300014x	journal	September 2011
Porous metal–organic frameworks as emerging sorbents for clean air Han, Xue; Yang, Sihai; Schröder, Martin Nature Reviews Chemistry, Vol. 3, Issue 2 https://doi.org/10.1038/s41570-019-0073-7	journal	February 2019
Infrared spectra and band strengths of amorphous and crystalline N ₂ O Hudson, R. L.; Loeffler, M. J.; Gerakines, P. A. The Journal of Chemical Physics, Vol. 146, Issue 2 https://doi.org/10.1063/1.4973548	journal	January 2017
Nitric Oxide Adsorption and Delivery in Flexible MIL-88(Fe) Metal–Organic Frameworks McKinlay, A. C.; Eubank, J. F.; Wuttke, S. Chemistry of Materials, Vol. 25, Issue 9 https://doi.org/10.1021/cm304037x	journal	April 2013
Controlling the Uptake and Regulating the Release of Nitric Oxide in Microporous Solids Haikal, Rana R.; Hua, Carol; Perry, John J. ACS Applied Materials & Interfaces, Vol. 9, Issue 50 https://doi.org/10.1021/acsami.7b15095	journal	December 2017
Negative cooperativity upon hydrogen bond-stabilized O2 adsorption in a redox-active metal–organic framework Oktawiec, Julia; Jiang, Henry Z. H.; Vitillo, Jenny G. Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-16897-z	journal	June 2020
Thermal Cycling of a MOF-Based NO Disproportionation Catalyst Wright, Ashley M.; Sun, Chenyue; Dincă, Mircea Journal of the American Chemical Society, Vol. 143, Issue 2 https://doi.org/10.1021/jacs.0c12134	journal	January 2021
Infrared Absorption Spectra of Inorganic Coördination Complexes. VII. Structural Isomerism of Nitro- and Nitritopentamminecobalt(III) Chlorides ^1a,b Penland, R. B.; Lane, T. J.; Quagliano, J. V. Journal of the American Chemical Society, Vol. 78, Issue 5 https://doi.org/10.1021/ja01586a001	journal	March 1956
Van der Waals Radii of Elements Batsanov, S. S. Inorganic Materials, Vol. 37, Issue 9, p. 871-885 https://doi.org/10.1023/A:1011625728803	journal	September 2001
Principles of structure, bonding, and reactivity for metal nitrosyl complexes Enemark, J. H.; Feltham, R. D. Coordination Chemistry Reviews, Vol. 13, Issue 4 https://doi.org/10.1016/S0010-8545(00)80259-3	journal	September 1974
Role of hydrogen bonding in the catalytic reduction of nitric oxide Shiotari, Akitoshi; Hatta, Shinichiro; Okuyama, Hiroshi Chem. Sci., Vol. 5, Issue 3 https://doi.org/10.1039/C3SC52334A	journal	January 2014
Could nasal nitric oxide help to mitigate the severity of COVID-19? Martel, Jan; Ko, Yun-Fei; Young, John D. Microbes and Infection, Vol. 22, Issue 4-5 https://doi.org/10.1016/j.micinf.2020.05.002	journal	May 2020
Regulation of mitochondrial respiration by nitric oxide inhibition of cytochrome c oxidase Brown, Guy C. Biochimica et Biophysica Acta (BBA) - Bioenergetics, Vol. 1504, Issue 1 https://doi.org/10.1016/S0005-2728(00)00238-3	journal	March 2001
Non-Heme Iron Nitrosyls in Biology Butler, Anthony R.; Megson, Ian L. Chemical Reviews, Vol. 102, Issue 4 https://doi.org/10.1021/cr000076d	journal	March 2002
A motif for reversible nitric oxide interactions in metalloenzymes Zhang, Shiyu; Melzer, Marie M.; Sen, S. Nermin Nature Chemistry, Vol. 8, Issue 7 https://doi.org/10.1038/nchem.2502	journal	April 2016
Chemistry of Nitric Oxide Relevant to Biology McCleverty, J. A. Chemical Reviews, Vol. 104, Issue 2 https://doi.org/10.1021/cr020623q	journal	February 2004
Tuning the nitric oxide release from CPO-27 MOFs Cattaneo, Damiano; Warrender, Stewart J.; Duncan, Morven J. RSC Advances, Vol. 6, Issue 17 https://doi.org/10.1039/C5RA24023A	journal	January 2016
Ti ³⁺ -, V ^2+/3+ -, Cr ^2+/3+ -, Mn ²⁺ -, and Fe ²⁺ -Substituted MOF-5 and Redox Reactivity in Cr- and Fe-MOF-5 Brozek, Carl K.; Dincă, Mircea Journal of the American Chemical Society, Vol. 135, Issue 34 https://doi.org/10.1021/ja4064475	journal	August 2013
Computational Exploration of NO Single-Site Disproportionation on Fe-MOF-5 Jover, Jesús; Brozek, Carl K.; Dincǎ, Mircea Chemistry of Materials, Vol. 31, Issue 21 https://doi.org/10.1021/acs.chemmater.9b02910	journal	October 2019
Structure of nitric oxide hemoglobin Deatherage, James F.; Moffat, Keith Journal of Molecular Biology, Vol. 134, Issue 3 https://doi.org/10.1016/0022-2836(79)90360-7	journal	November 1979
Endothelium-derived relaxing factor produced and released from artery and vein is nitric oxide. Ignarro, L. J.; Buga, G. M.; Wood, K. S. Proceedings of the National Academy of Sciences, Vol. 84, Issue 24 https://doi.org/10.1073/pnas.84.24.9265	journal	December 1987
Hydroxide Ligands Cooperate with Catalytic Centers in Metal–Organic Frameworks for Efficient Photocatalytic CO ₂ Reduction Wang, Yu; Huang, Ning-Yu; Shen, Jian-Qiang Journal of the American Chemical Society, Vol. 140, Issue 1 https://doi.org/10.1021/jacs.7b10107	journal	December 2017
Progress and Promise of Nitric Oxide‐Releasing Platforms Yang, Tao; Zelikin, Alexander N.; Chandrawati, Rona Advanced Science, Vol. 5, Issue 6 https://doi.org/10.1002/advs.201701043	journal	April 2018
Water based scale-up of CPO-27 synthesis for nitric oxide delivery Cattaneo, Damiano; Warrender, Stewart J.; Duncan, Morven J. Dalton Transactions, Vol. 45, Issue 2 https://doi.org/10.1039/C5DT03955J	journal	January 2016
Why nitric oxide? Traylor, Teddy G.; Sharma, Vijay S. Biochemistry, Vol. 31, Issue 11 https://doi.org/10.1021/bi00126a001	journal	March 1992
An Alkaline-Stable, Metal Hydroxide Mimicking Metal–Organic Framework for Efficient Electrocatalytic Oxygen Evolution Lu, Xue-Feng; Liao, Pei-Qin; Wang, Jia-Wei Journal of the American Chemical Society, Vol. 138, Issue 27 https://doi.org/10.1021/jacs.6b03125	journal	June 2016
Synthetic oxygen carriers related to biological systems Jones, Robert D.; Summerville, David A.; Basolo, Fred. Chemical Reviews, Vol. 79, Issue 2 https://doi.org/10.1021/cr60318a002	journal	April 1979
Infrared Spectra of Metallic Complexes. V. The Infrared Spectra of Nitro and Nitrito Complexes ¹ Nakamoto, Kazuo; Fujita, Junnosuke; Murata, Hiromu Journal of the American Chemical Society, Vol. 80, Issue 18 https://doi.org/10.1021/ja01551a016	journal	September 1958
Gradual Release of Strongly Bound Nitric Oxide from Fe ₂ (NO) ₂ (dobdc) Bloch, Eric D.; Queen, Wendy L.; Chavan, Sachin Journal of the American Chemical Society, Vol. 137, Issue 10 https://doi.org/10.1021/ja5132243	journal	March 2015
High-spin, five-coordinate cobalt(II) complexes Dori, Zvi; Gray, Harry B. Inorganic Chemistry, Vol. 7, Issue 5 https://doi.org/10.1021/ic50063a010	journal	May 1968
Reaction of nitric oxide with heme proteins and model compounds of hemoglobin Sharma, Vijay S.; Traylor, T. G.; Gardiner, Robert Biochemistry, Vol. 26, Issue 13 https://doi.org/10.1021/bi00387a015	journal	June 1987
Copper(I) Complex Mediated Nitric Oxide Reductive Coupling: Ligand Hydrogen Bonding Derived Proton Transfer Promotes N ₂ O _(g) Release Wijeratne, Gayan B.; Bhadra, Mayukh; Siegler, Maxime A. Journal of the American Chemical Society, Vol. 141, Issue 45 https://doi.org/10.1021/jacs.9b07286	journal	October 2019
Local Structure of CPO-27-Ni Metallorganic Framework upon Dehydration and Coordination of NO Bonino, Francesca; Chavan, Sachin; Vitillo, Jenny G. Chemistry of Materials, Vol. 20, Issue 15 https://doi.org/10.1021/cm800686k	journal	August 2008
The Chemistry and Applications of Metal-Organic Frameworks Furukawa, H.; Cordova, K. E.; O'Keeffe, M. Science, Vol. 341, Issue 6149, p. 1230444-1230444 https://doi.org/10.1126/science.1230444	journal	August 2013
Exceptional Behavior over the Whole Adsorption−Storage−Delivery Cycle for NO in Porous Metal Organic Frameworks McKinlay, Alistair C.; Xiao, Bo; Wragg, David S. Journal of the American Chemical Society, Vol. 130, Issue 31 https://doi.org/10.1021/ja801997r	journal	August 2008
Reactions of nitric oxide coordinated to transition metals McCleverty, J. A. Chemical Reviews, Vol. 79, Issue 1 https://doi.org/10.1021/cr60317a005	journal	February 1979
Monodentate hydroxide as a super strong yet reversible active site for CO ₂ capture from high-humidity flue gas Liao, Pei-Qin; Chen, Huayao; Zhou, Dong-Dong Energy & Environmental Science, Vol. 8, Issue 3 https://doi.org/10.1039/C4EE02717E	journal	January 2015
BioMOFs: Metal-Organic Frameworks for Biological and Medical Applications McKinlay, Alistair C.; Morris, Russell E.; Horcajada, Patricia Angewandte Chemie International Edition, Vol. 49, Issue 36, p. 6260-6266 https://doi.org/10.1002/anie.201000048	journal	July 2010

Linked Research (5)

Figures / Tables (4)

Similar Records

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

Journal Article · 2020 · Nature Communications · OSTI ID:1633822

Oktawiec, Julia; Jiang, Henry Z. H.; Vitillo, Jenny G.; +10 more

Tuning the Redox Activity of Metal–Organic Frameworks for Enhanced, Selective O₂ Binding: Design Rules and Ambient Temperature O₂ Chemisorption in a Cobalt–Triazolate Framework

Journal Article · 2020 · Journal of the American Chemical Society · OSTI ID:1800087

Rosen, Andrew S.; Mian, M. Rasel; Islamoglu, Timur; +4 more

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

Journal Article · 2016 · Journal of the American Chemical Society · OSTI ID:1387709

Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; +4 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

CCDC 2098009: Experimental Crystal Structure Determination Julia, Oktawiec,; Z. H., Jiang, Henry; B., Turkiewicz, Ari https://doi.org/10.5517/ccdc.csd.cc28f4ql The current record is supplemented by this dataset	dataset	January 2021
CCDC 2098007: Experimental Crystal Structure Determination Julia, Oktawiec,; Z. H., Jiang, Henry; B., Turkiewicz, Ari https://doi.org/10.5517/ccdc.csd.cc28f4nj The current record is supplemented by this dataset	dataset	January 2021
CCDC 2098010: Experimental Crystal Structure Determination Julia, Oktawiec,; Z. H., Jiang, Henry; B., Turkiewicz, Ari https://doi.org/10.5517/ccdc.csd.cc28f4rm The current record is supplemented by this dataset	dataset	January 2021
CCDC 2098011: Experimental Crystal Structure Determination Julia, Oktawiec,; Z. H., Jiang, Henry; B., Turkiewicz, Ari https://doi.org/10.5517/ccdc.csd.cc28f4sn The current record is supplemented by this dataset	dataset	January 2021
CCDC 2098008: Experimental Crystal Structure Determination Julia, Oktawiec,; Z. H., Jiang, Henry; B., Turkiewicz, Ari https://doi.org/10.5517/ccdc.csd.cc28f4pk The current record is supplemented by this dataset	dataset	January 2021