Thermochemistry of paddle wheel MOFs: Cu-HKUST-1 and Zn-HKUST-1

Langmuir

Volumn 29, Issue 25, 2013, Pages 8140-8145

  Bhunia, Manas K ^a   Hughes, James T ^a   Fettinger, James C ^a   Navrotsky, Alexandra ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACID-SOLUTION CALORIMETRY; ENTHALPIES OF FORMATION; ENTHALPY OF FORMATION; METAL ORGANIC FRAMEWORK; N ,N-DIMETHYLFORMAMIDE; SECONDARY BUILDING UNITS; STRUCTURAL RIGIDITY; TRANSITION METAL OXIDE NANOPARTICLES;

CALORIMETRY; CHEMISORPTION; CRYSTALLINE MATERIALS; ENTHALPY; ORGANIC SOLVENTS; SOLVENTS;

ZINC;

EID: 84879516833     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la4012839     Document Type: Article

References (45)

1. Furukawa, H.; Ko, N.; Go, Y. B.; Aratani, N.; Choi, S. B.; Choi, E.; Yazaydin, A.; Snurr, R. Q.; O'Keeffe, M.; Kim, J.; Yaghi, O. M. Ultrahigh Porosity in Metal-Organic Frameworks Science 2010, 329, 424-428
2. Eddaoudi, M.; Kim, J.; Rosi, N.; Vodak, D.; Wachter, J.; O'Keeffe, M.; Yaghi, O. M. Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage Science 2002, 295, 469-472
3. Yoon, M.; Srirambalaji, R.; Kim, K. Homochiral Metal-Organic Frameworks for Asymmetric Heterogeneous Catalysis Chem. Rev. 2012, 112, 1196-1231
4. Horcajada, P.; Gref, R.; Baati, T.; Allan, P. K.; Maurin, G.; Couvreur, P.; Férey, G.; Morris, R. E.; Serre, C. Metal-Organic Frameworks in Biomedicine Chem. Rev. 2012, 112, 1232-1268
5. Corma, A.; García, H.; Llabrés i Xamena, F. X. Engineering Metal Organic Frameworks for Heterogeneous Catalysis Chem. Rev. 2010, 110, 4606-4655
6. 2+ Coordination Sites J. Am. Chem. Soc. 2006, 128, 16876-16883
7. Gadzikwa, T.; Farha, O. K.; Malliakas, C. D.; Kanatzidis, M. G.; Hupp, J. T.; Nguyen, S. T. Selective Bifunctional Modification of a Non-catenated Metal-Organic Framework Material via "Click" Chemistry J. Am. Chem. Soc. 2009, 131, 13613-13615
8. Bétard, A.; Fischer, R. A. Metal-Organic Framework Thin Films: From Fundamentals to Applications Chem. Rev. 2012, 112, 1055-1083
9. Wang, C.; Zhang, T.; Lin, W. Rational Synthesis of Noncentrosymmetric Metal-Organic Frameworks for Second-Order Nonlinear Optics Chem. Rev. 2012, 112, 1084-1104
10. Cui, Y.; Yue, Y.; Qian, G.; Chen, B. Luminescent Functional Metal-Organic Frameworks Chem. Rev. 2012, 112, 1126-1162
11. Sumida, K.; Horike, S.; Kaye, S. S.; Herm, Z. R.; Queen, W. L.; Brown, C. M.; Grandjean, F.; Long, G. J.; Dailly, A.; Long, J. R. Hydrogen Storage and Carbon Dioxide Capture in an Iron-Based Sodalite-Type Metal-Organic Framework (Fe-BTT) Discovered via High-Throughput Methods Chem. Sci. 2010, 1, 184-191
12. Navrotsky, A.; Trofymluk, O.; Levchenko, A. A. Thermochemistry of Microporous and Mesoporous Materials Chem. Rev. 2009, 109, 3885-3902
13. Navrotsky, A. Calorimetric Insights into the Synthesis of Templated Materials Curr. Opin. Colloid Interface Sci. 2005, 10, 195-202
14. Hughes, J. T.; Navrotsky, A. MOF-5: Enthalpy of Formation and Energy Landscape of Porous Materials J. Am. Chem. Soc. 2011, 133, 9184-9187
15. Hughes, J. T.; Bennett, T. D.; Cheetham, A. K.; Navrotsky, A. Thermochemistry of Zeolitic Imidazolate Frameworks of Varying Porosity J. Am. Chem. Soc. 2013, 135, 598-601
16. Vagin, S. I.; Ott, A. K.; Rieger, B. Paddle-Wheel Zinc Carboxylate Clusters as Building Units for Metal-Organic Frameworks Chem. Ing. Tech. 2007, 79, 767-780
17. Tan, K.; Nijem, N.; Canepa, P.; Gong, Q.; Li, J.; Thonhauser, T.; Chabal, Y. J. Stability and Hydrolyzation of Metal Organic Frameworks with Paddle-Wheel SBUs upon Hydration Chem. Mater. 2012, 24, 3153-3167
18. Stylianou, K. C.; Rabone, J.; Chong, S. Y.; Heck, R.; Armstrong, J.; Wiper, P. V.; Jelfs, K. E.; Zlatogorsky, S.; Bacsa, J.; McLennan, A. G.; Ireland, C. P.; Khimyak, Y. Z.; Thomas, K. M.; Bradshaw, D.; Rosseinsky, M. J. Dimensionality Transformation through Paddlewheel Reconfiguration in a Flexible and Porous Zn-Based Metal-Organic Framework J. Am. Chem. Soc. 2012, 134, 20466-20478
19. Seo, J.; Bonneau, C.; Matsuda, R.; Takata, M.; Kitagawa, S. Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media J. Am. Chem. Soc. 2011, 133, 9005-9013
20. 3] n Science 1999, 283, 1148-1150
21. Wu, Y.; Qiu, L.-G.; Wang, W.; Li, Z.-Q.; Xu, T.; Wu, Z.-Y.; Jiang, X. Kinetics of Oxidation of Hydroquinone to p-Benzoquinone Catalyzed by Microporous Metal-Organic Frameworks M-3(BTC)(2) [M = Copper(II), Cobalt(II), or Nickel(II); BTC = Benzene-1,3,5-Tricarboxylate] using Molecular Oxygen Transition Met. Chem. 2009, 34, 263-268
22. Feldblyum, J. I.; Liu, M.; Gidley, D. W.; Matzger, A. J. Reconciling the Discrepancies between Crystallographic Porosity and Guest Access As Exemplified by Zn-HKUST-1 J. Am. Chem. Soc. 2011, 133, 18257-18263
23. 3 (MOF-5) J. Am. Chem. Soc. 2007, 129, 14176-14177
24. Rowsell, J. L. C.; Yaghi, O. M. Effects of Functionalization, Catenation, and Variation of the Metal Oxide and Organic Linking Units on the Low-Pressure Hydrogen Adsorption Properties of Metal-Organic Frameworks J. Am. Chem. Soc. 2006, 128, 1304-1315
25. Ma, L. Q.; Jin, A.; Xie, Z. G.; Lin, W. B. Freeze Drying Significantly Increases Permanent Porosity and Hydrogen Uptake in 4,4-Connected Metal-Organic Frameworks Angew. Chem., Int. Ed. 2009, 48, 9905-9908
26. Nelson, A. P.; Farha, O. K.; Mulfort, K. L.; Hupp, J. T. Supercritical Processing as a Route to High Internal Surface Areas and Permanent Microporosity in Metal-Organic Framework Materials J. Am. Chem. Soc. 2009, 131, 458-460
27. Hibbe, F.; Chmelik, C.; Heinke, L.; Pramanik, S.; Li, J.; Ruthven, D. M.; Tzoulaki, D.; Kärger, J. The Nature of Surface Barriers on Nanoporous Solids Explored by Microimaging of Transient Guest Distributions J. Am. Chem. Soc. 2011, 133, 2804-2807
28. Charlton, M.; Humberston, J. W. Positron Physics; Cambridge University Press: Cambridge, 2001.
29. Hughes, J. T.; Navrotsky, A. Enthalpy of Formation of Zinc Acetate Dihydrate J. Chem. Thermodyn. 2011, 43, 980-982
30. Ushakov, S. V.; Navrotsky, A. Direct Measurements of Water Adsorption Enthalpy on Hafnia and Zirconia Appl. Phys. Lett. 2005, 87, 164103-164106
31. Navrotsky, A.; Ma, C.; Lilova, K.; Birkner, N. Nanophase Transition Metal Oxides Show Large Thermodynamically Driven Shifts in Oxidation-Reduction Equilibria Science 2010, 330, 199-201
32. O'Neil, H. S. C.; Navrotsky, A. Cation Distributions and Thermodynamic Properties of Binary Spinel Solid-Solutions Am. Mineral. 1984, 69, 733-753
33. Joint Army Navy Air Force; JANAF Thermochemical Tables 2, Cr-Zr; American Institute of Physics: New York, 1986.
34. Cox, J. D.; Wagman, D. D.; Medvedev, V. A. CODATA Key Values for Thermodynamics; Hemisphere: New York, 1989.
35. Yukhno, G. F.; Bikkulov, A. Z. Enthalpies of Combustion and Formation of Benzene Carboxylic Acids Russ. J. Phys. Chem. (Engl. Transl.) 1971, 45, 924-925
36. Vasil'eva, T. F.; Zhil'tsova, E. N.; Vvedenskii, A. A. Enthalpies of Combustion of N,N-Dimethylformamide and N,N-Dimethylacetamide Russ. J. Phys. Chem. (Engl. Transl.) 1972, 46, 315-318
37. Robie, R. A.; Hemingway, B. S. Thermodynamic Properties of Minerals and Related Substances at 298.15 K and 1 bar (105 pascals) Pressure and at Higher Temperatures. U.S. Geological Survey Bulletin No. 2131; U.S. Government Printing Office: Washington, DC, 1995.
38. Bureekaew, S.; Amirjalayer, S.; Schmid, R. Orbital Directing Effects in Copper and Zinc Based Paddle-Wheel Metal Organic Frameworks: The Origin of Flexibility J. Mater. Chem. 2012, 22, 10249-10254
39. 2: A Spatially Periodic Density Fuctional Theory Study J. Chem. Phys. 2010, 133, 094509
40. Grajciar, L.; Bludsky, O.; Nachtigall, P. Water Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF J. Phys. Chem. Lett. 2010, 1, 3354-3359
41. Zang, J.; Nair, S.; Sholl, D. S. Prediction of Water Adsorption in Copper-Based Metal-Organic Frameworks Using Force Fields Derived from Dispersion-Corrected DFT Calculations J. Phys. Chem. C 2013, 117, 7519-7525
42. Wu, D.; Gassensmith, J. J.; Gouveîa, D.; Ushakov, S.; Stoddart, J. F.; Navrotsky, A. Direct Calorimetric Measurement of Enthalpy of Adsorption of Carbon Dioxide on CD-MOF-2, a Green Metal-Organic Framework J. Am. Chem. Soc. 2013, 135, 6790-6793
43. Asbrink, S.; Norrby, L. J. A Refinement of Crystal Structure of Copper(2) Oxide with a Discussion of Some Exceptional ESDS Acta Crystallogr., Sect. B 1970, 26, 8-15
44. Abrahams, S. C.; Bernstein, J. L. Remeasurement of Structure of Hexagonal ZnO Acta Crystallogr., Sect. B 1969, 25, 1233-1236
45. Figures were constructed using VESTA a structural analysis program: Momma, K.; Izumi, F. VESTA 3 for Three-Dimensional Visualization of Crystal, Volumetric and Morphology Data J. Appl. Crystallogr. 2011, 44, 1272-1276