Erratum: Tuning metal-organic frameworks with open-metal sites and its origin for enhancing CO2 affinity by metal substitution (The Journal of Physical Chemistry Letters (2012) 3 (826-829) DOI: 10.1021/jz300047n);Tuning metal-organic frameworks with open-metal sites and its origin for enhancing CO2 affinity by metal substitution

Journal of Physical Chemistry Letters

Volumn 3, Issue 7, 2012, Pages 826-829

  Park, Joonho ^a   Kim, Heejin ^a   Han, Sang Soo ^b   Jung, Yousung ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^b Korea Research Institute of Standards and Science   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CRYSTALLINE MATERIALS; ELECTRIC FIELD EFFECTS; ELECTRONIC STRUCTURE; ORGANOMETALLICS; TRANSITION METALS;

ANTHROPOGENIC CARBON; COORDINATION BONDS; ELECTRONIC STRUCTURE CALCULATIONS; LOCAL ELECTRIC FIELD; LONE PAIR ELECTRONS; METAL ORGANIC FRAMEWORK; METALORGANIC FRAMEWORKS (MOFS); TRANSITION METAL ELEMENTS;

CARBON DIOXIDE;

EID: 84859568180     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz300643y     Document Type: Erratum

References (34)

1. Dâalessandro, D.; Smit, B.; Long, J. R. Carbon Dioxide Capture: Prospects for New Materials Angew. Chem., Int. Ed. 2010, 49, 6058-6082
2. 2 Sequestration Options J. Chem. Eng. Jpn. 2003, 36, 361-375 (Pubitemid 36967568)
3. Yang, H.; Xu, Z.; Fan, M.; Gupta, R.; Slimane, R.; Bland, A.; Wright, I. Progress in Carbon Dioxide Separation and Capture: A Review J. Environ. Sci. 2008, 20, 14-27
4. 2 Capture Process Principles and Costs Oil Gas Sci. Technol. 2005, 60, 451-459
5. Keskin, S.; van Heest, T. M.; Sholl, D. S. Can Metal-Organic Framework Materials Play a Useful Role in Large-Scale Carbon Dioxide Separations? ChemSusChem 2010, 3, 879-891
6. 2 Capture Energy Fuels 2002, 16, 1463-1469 (Pubitemid 35466684)
7. 2 Ind. Eng. Chem. Res. 2005, 44, 8007-8013
8. Choi, H.; Park, Y. C.; Kim, Y.-H.; Lee, Y. S. Ambient Carbon Dioxide Capture by Boron-Rich Boron Nitride Nanotube J. Am. Chem. Soc. 2011, 133, 2084-2087
9. Yazaydin, A. OI.; Snurr, R. Q.; Park, T.-H.; Koh, K.; Liu, J.; Levan, M. D.; Benin, A. I.; Jakubczak, P.; Lanuza, M.; Galloway, D. B. Screening of Metal-Organic Frameworks for Carbon Dioxide Capture from Flue Gas Using a Combined Experimental and Modeling Approach J. Am. Chem. Soc. 2009, 131, 18198-18199
10. Kim, Y.-H.; Sun, Y. Y.; Choi, W. I.; Kang, J.; Zhang, S. B. Enhanced Dihydrogen Adsorption in Symmetry-Lowered Metal-Porphyrin-Containing Frameworks Phys. Chem. Chem. Phys. 2009, 11, 11400-11403
11. Sun, Y. Y.; Kim, Y.-H.; Zhang, S. B. Effect of Spin State on the Dihydrogen Binding Strength to Transition Metal Centers in Metal-Organic Frameworks J. Am. Chem. Soc. 2007, 129, 12606-12607 (Pubitemid 350004438)
12. Choi, W. I.; Jhi, S.-H.; Kim, K.; Kim, Y.-H. Divacancy-Nitrogen-Assisted Transition Metal Dispersion and Hydrogen Adsorption in Defective Graphene: A First-Principles Study Phys. Rev. B 2010, 81, 085441
13. 2-Paddle-Wheel Frameworks Phys. Rev. Lett. 2010, 105
14. Furukawa, H.; Ko, N.; Go, Y. B.; Aratani, N.; Choi, S. B.; Choi, E.; Yazaydin, A. O.; Snurr, R. Q.; Oâkeeffe, M.; Kim, J. Ultrahigh Porosity in Metal-Organic Frameworks Science 2010, 329, 424-428
15. Farha, O. K.; YazaydÄn, A. OI.; Eryazici, I.; Malliakas, C. D.; Hauser, B. G.; Kanatzidis, M. G.; Nguyen, S. T.; Snurr, R. Q.; Hupp, J. T. De Novo Synthesis of a Metal-Organic Framework Material Featuring Ultrahigh Surface Area and Gas Storage Capacities Nat. Chem. 2010, 2, 944-948
16. Caskey, S. R.; Wong-Foy, A. G.; Matzger, A. J. Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores J. Am. Chem. Soc. 2008, 130, 10870-10871
17. Dietzel, P. D. C.; Panella, B.; Hirscher, M.; Blom, R.; FjellvaÌšg, H. Hydrogen Adsorption in a Nickel Based Coordination Polymer with Open Metal Sites in the Cylindrical Cavities of the Desolvated Framework Chem. Commun. 2006, 959-961 (Pubitemid 43277924)
18. Dietzel, P. D. C.; Morita, Y.; Blom, R.; FjellvaÌšg, H. An in Situ High-Temperature Single-Crystal Investigation of a Dehydrated Metal-Organic Framework Compound and Field-Induced Magnetization of One-Dimensional Metal-Oxygen Chains Angew. Chem., Int. Ed. 2005, 44, 6354-6358 (Pubitemid 41454661)
19. Rosi, N. L.; Kim, J.; Eddaoudi, M.; Chen, B.; Oâkeeffe, M.; Yaghi, O. M. Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units J. Am. Chem. Soc. 2005, 127, 1504-1518 (Pubitemid 40204526)
20. 2 Adsorption in Isostructural Metal-Organic Frameworks with Open Metal Sites: Strong Dependence of the Binding Strength on Metal Ions J. Am. Chem. Soc. 2008, 130, 15268-15269
21. Wilmer, C. E.; Snurr, R. Q. Towards Rapid Computational Screening of Metal-Organic Frameworks for Carbon Dioxide Capture: Calculation of Framework Charges via Charge Equilibration Chem. Eng. J. 2010, 171, 775-781
22. 2 in Prototypical Metal-Organic Frameworks: A Combined Neutron Diffraction and First-Principles Study J. Phys. Chem. Lett. 2010, 1, 1946-1951
23. 2 on Mg-MOF-74 J. Phys. Chem. C 2010, 114, 11185-11191
24. 2O Using the ReaxFF Reactive Force Field Chem. Commun. 2010, 46, 5713-5715
25. 2 Storage Langmuir 2008, 24, 6270-6278
26. Britt, D.; Furukawa, H.; Wang, B.; Glover, T. G.; Yaghi, O. M. Highly Efficient Separation of Carbon Dioxide by a Metal-Organic Framework Replete with Open Metal Sites Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 20637-20640
27. Moellmann, J.; Grimme, S. Importance of London Dispersion Effects for the Packing of Molecular Crystals: A Case Study for Intramolecular Stacking in a Bis-Thiophene Derivative Phys. Chem. Chem. Phys. 2010, 12, 8500-8504
28. Sun, G.; KuIrti, J.; Rajczy, P.; Kertesz, M.; Hafner, J.; Kresse, G. Performance of the Vienna Ab Initio Simulation Package (VASP) in Chemical Applications J. Mol. Struct. (THEOCHEM) 2003, 624, 37-45
29. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 (Pubitemid 126631804)
30. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation Phys. Rev. B 1992, 46, 6671-6687
31. Grajciar, L.; Bludský, O.; Nachtigall, P. Water Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF J. Phys. Chem. Lett. 2010, 1, 3354-3359
32. Ohba, M.; Yoneda, K.; Agustí, G.; Munioz, M. C.; Gaspar, A. B.; Real, J. A.; Yamasaki, M.; Ando, H.; Nakao, Y.; Sakaki, S. Bidirectional Chemo-switching of Spin State in a Microporous Framework Angew. Chem., Int. Ed. 2009, 48, 4767-4771
33. Shao, Y.; Molnar, L. F.; Jung, Y.; Kussmann, J.; Ochsenfeld, C.; Brown, S. T.; Gilbert, A. T. B.; Slipchenko, L. V.; Levchenko, S. V.; Oâneill, D. P. Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package Phys. Chem. Chem. Phys. 2006, 8, 3172-3191
34. Bader, R. F. W. Atoms in Molecules-A Quantum Theory; Oxford University Press: New York, 1990.