H3O2 bridging ligand in a metal-organic framework. Insight into the Aqua-Hydroxo↔hydroxyl equilibrium: A combined experimental and theoretical study

Journal of the American Chemical Society

Volumn 135, Issue 15, 2013, Pages 5782-5792

  D'Vries, Richard F ^a   De La Peña O'Shea, Victor A ^b   Snejko, Natalia ^a   Iglesias, Marta ^a   Gutiérrez Puebla, Enrique ^a   Monge, M Angeles ^a  

^a INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

^b IMDEA ENERGY INSTITUTE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BRIDGING LIGANDS; CATALYTIC TESTS; COMPUTATIONAL STUDIES; CYANOSILYLATION; HYDROTHERMAL CONDITIONS; METAL ORGANIC FRAMEWORK; RELATIVE ENERGIES; THEORETICAL STUDY;

CRYSTALLINE MATERIALS; ELECTRONIC STRUCTURE; JAVA PROGRAMMING LANGUAGE;

SCANDIUM;

3, 5 DISULFOBENZOIC ACID; ANION; BENZOIC ACID DERIVATIVE; HYDRONIUM ION; HYDROXYL GROUP; LIGAND; METAL ORGANIC FRAMEWORK; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CONTROLLED STUDY; EXPERIMENTAL STUDY; PH; SILYLATION; THEORETICAL STUDY; THERMODYNAMICS;

EID: 84876488436     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja4005046     Document Type: Article

References (61)

1. Cotton, S. A. Lanthanide and Actinide Chemistry; John Wiley & Sons: Uppinghan, Rutland, UK, 2006.
2. Chu, Y.; Liu, X.; Li, W.; Hu, X.; Lin, L.; Feng, X. Chem. Sci. 2012, 3, 1996
3. Iimura, S.; Manabe, K.; Kobayashi, S. Tetrahedron 2004, 60, 7673
4. Nishiura, M.; Hou, Z. Nat. Chem. 2010, 2, 257
5. O'Keeffe, M.; Yaghi, O. M. Chem. Rev. 2011, 112, 675
6. Perles, J.; Iglesias, M.; Ruiz-Valero, C.; Snejko, N. Chem. Commun. 2003, 346
7. Perles, J.; Snejko, N.; Iglesias, M.; Monge, M. A. J. Mater. Chem. 2009, 19, 6504
8. Perles, J.; Iglesias, M.; Martín-Luengo, M.-á.; á. Ruiz-Valero, C.; Snejko, N. Chem. Mater. 2005, 17, 5837
9. Mowat, J. P. S.; Miller, S. R.; Slawin, A. M. Z.; Seymour, V. R.; Ashbrook, S. E.; Wright, P. A. Microporous Mesoporous Mater. 2011, 142, 322
10. Gandara, F.; Gomez-Lor, B.; Iglesias, M.; Snejko, N.; Gutierrez-Puebla, E.; Monge, A. Chem. Commun. 2009, 2393
11. Li, Y. T.; Cui, K. H.; Li, J.; Zhu, J. Q.; Wang, X.; Tian, Y. Q. Chin. J. Inorg. Chem. 2011, 27, 951
12. Miller, S. R.; Wright, P. A.; Serre, C.; Loiseau, T.; Marrot, J.; Ferey, G. Chem. Commun. 2005, 3850
13. Kobayashi, S.; Mori, Y.; Yamashita, Y. In Comprehensive Coordination Chemistry II; McCleverty, J. A.; Meyer, T. J., Eds.; Pergamon: Oxford, 2003.
14. Tranchemontagne, D. J.; Park, K. S.; Furukawa, H.; Eckert, J.; Knobler, C. B.; Yaghi, O. M. J. Phys. Chem. C 2012, 116, 13143
15. Furukawa, H.; Ko, N.; Go, Y. B.; Aratani, N.; Choi, S. B.; Choi, E.; Yazaydin, A. Ö.; Snurr, R. Q.; O'Keeffe, M.; Kim, J.; Yaghi, O. M. Science 2010, 329, 424
16. Ibarra, I. A.; Yang, S.; Lin, X.; Blake, A. J.; Rizkallah, P. J.; Nowell, H.; Allan, D. R.; Champness, N. R.; Hubberstey, P.; Schroder, M. Chem. Commun. 2011, 47, 8304
17. Webb, H. R.; Hardie, M. J.; Raston, C. L. Chem.-Eur. J. 2001, 7, 3616
18. Ibarra, I. A.; Lin, X.; Yang, S.; Blake, A. J.; Walker, G. S.; Barnett, S. A.; Allan, D. R.; Champness, N. R.; Hubberstey, P.; Schröder, M. Chem.-Eur. J. 2010, 16, 13671
19. Dietzel, P. D. C.; Blom, R.; Fjellvag, H. Dalton Trans. 2006, 2055
20. Bernini, M. C.; Snejko, N.; Gutierrez-Puebla, E.; Monge, A. CrystEngComm 2011, 13, 1797
21. Bino, A.; Gibson, D. J. Am. Chem. Soc. 1982, 104, 4383
22. Ardon, M.; Bino, A.; Jackson, W. G. Polyhedron 1987, 6, 181
23. Ardon, M.; Bino, A.; Michelsen, K. J. Am. Chem. Soc. 1987, 109, 1986
24. Ardon, M.; Bino, A.; Michelsen, K.; Pedersen, E.; Thompson, R. C. Inorg. Chem. 1997, 36, 4147
25. Duan, L.; Fischer, A.; Xu, Y.; Sun, L. J. Am. Chem. Soc. 2009, 131, 10397
26. Ruf, M.; Weis, K.; Vahrenkamp, H. J. Am. Chem. Soc. 1996, 118, 9288
27. Kong, D.; Xie, Y. Inorg. Chim. Acta 2002, 338, 142
28. Jüstel, T.; Bendix, J.; Metzler-Nolte, N.; Weyhermüller, T.; Nuber, B.; Wieghardt, K. Inorg. Chem. 1998, 37, 35
29. APEX2; Bruker-AXS: Madison, WI, 2006.
30. SMART, v.5.04; Bruker-Siemens: Madison, WI, 1998.
31. SAINT, v.6.28A; Bruker-Siemens: Madison, WI, 1997.
32. SHELXTL, v.5.1; Bruker-Siemens: Madison, WI, 1998.
33. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15
34. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558
35. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671
36. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244
37. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953
38. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758
39. Momma, K.; Izumi, F. J. Appl. Crystallogr. 2011, 44, 1272
40. Blatov, V. A.; Shevchenko, A. P.; V4.0 ed.; Samara State University: Samara, Russia, 2010.
41. Infrared and Raman Spectra of Inorganic and Coordination Compounds, 6 th ed.; Nakamoto, K., Ed.; John Wiley & Sons, Inc.: Hoboken, NJ, 2009.
42. Harmon, K. M.; Southworth, B. A.; Mounts, P. A. J. Mol. Struct. 1993, 296, 69
43. Price, E. A.; Robertson, W. H.; Diken, E. G.; Weddle, G. H.; Johnson, M. A. Chem. Phys. Lett. 2002, 366, 412
44. Knop, O.; Hartley, J. M. Can. J. Chem. 1968, 46, 1446
45. Belsky, A.; Hellenbrandt, M.; Karen, V. L.; Luksch, P. Acta Crystallographica Section B 2002, 58, 364
46. Gándara, F.; de la Peña-O'Shea, V. A.; Illas, F.; Snejko, N.; Proserpio, D. M.; Gutiérrez-Puebla, E.; Monge, M. A. Inorg. Chem. 2009, 48, 4707
47. Bernini, M. C.; de la Peña-O'Shea, V. A.; Iglesias, M.; Snejko, N.; Gutierrez-Puebla, E.; Brusau, E. V.; Narda, G. E.; Illas, F.; Monge, M. A. Inorg. Chem. 2010, 49, 5063
48. Platero-Prats, A. E.; de la Peña-O'Shea, V. A.; Proserpio, D. M.; Snejko, N.; Gutiérrez-Puebla, E.; Monge, á. J. Am. Chem. Soc. 2012, 134, 4762
49. Higuchi, K.; Onaka, M.; Izumi, Y. Bull. Chem. Soc. Jpn. 1993, 66, 2016
50. North, M. Tetrahedron: Asymmetry 2003, 14, 147
51. Thirupathi, B.; Patil, M. K.; Reddy, B. M. Appl. Catal., A 2010, 384, 147
52. Benjamin, M. L.; John Wiley & Sons, Inc.: New York, 2010.
53. Fujita, M.; Kwon, Y. J.; Washizu, S.; Ogura, K. J. Am. Chem. Soc. 1994, 116, 1151
54. Evans, O. R.; Ngo, H. L.; Lin, W. J. Am. Chem. Soc. 2001, 123, 10395
55. Schlichte, K.; Kratzke, T.; Kaskel, S. Microporous Mesoporous Mater. 2004, 73, 81
56. Horike, S.; Dincǎ, M.; Tamaki, K.; Long, J. R. J. Am. Chem. Soc. 2008, 130, 5854
57. Neogi, S.; Sharma, M. K.; Bharadwaj, P. K. J. Mol. Catal. A: Chem. 2009, 299, 1
58. Sharma, M. K.; Singh, P. P.; Bharadwaj, P. K. J. Mol. Catal. A: Chem. 2011, 342-343, 6
59. Wu, X.; Lin, Z.; He, C.; Duan, C. New J. Chem. 2012, 36, 161
60. D'Vries, R. F.; de la Peña-O'Shea, V. A.; Snejko, N.; Iglesias, M.; Gutiérrez-Puebla, E.; Monge, M. á. Cryst. Growth Des. 2012, 12, 5535
61. D'Vries, R. F.; Iglesias, M.; Snejko, N.; Gutiérrez-Puebla, E.; Monge, M. A. Inorg. Chem. 2012, 51, 11349