Computational design of hybrid frameworks: Structure and energetics of two Me3OF3{-O2C-C6H 4-CO2-}3 metal-dicarboxylate polymorphs, MIL-hypo-1 and MIL-hypo-2

Zeitschrift fur Anorganische und Allgemeine Chemie

Volumn 630, Issue 15, 2004, Pages 2599-2604

  Mellot Draznieks, C ^a   Dutour, Julien ^a   Férey, Gérard ^a  

^a UNIVERSITÉ DE VERSAILLES SAINT QUENTIN EN YVELINES   (France)

Author keywords

Carboxylate ligands; Hybrid composites (organic inorganic); Polymorphism

Indexed keywords

DICARBOXYLIC ACID DERIVATIVE; METAL COMPLEX;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; ELECTROCHEMISTRY; ENERGY TRANSFER; MOLECULAR INTERACTION; MOLECULAR STABILITY; STRUCTURE ANALYSIS;

EID: 12244307886     PISSN: 00442313     EISSN: None     Source Type: Journal    
DOI: 10.1002/zaac.200400416     Document Type: Article

References (32)

1. A. K. Cheetham, G. Férey, T. Loiseau, Angew. Chem. 1999, 111, 3466; Angew. Chem. Int. Ed. 1999, 38, 3268.
2. A. K. Cheetham, G. Férey, T. Loiseau, Angew. Chem. 1999, 111, 3466; Angew. Chem. Int. Ed. 1999, 38, 3268.
3. C. N. R. Rao, S. Natarajan, R. Vaidhyanathan, Angew. Chem. 2004, 115, 1490; Angew. Chem. Int. Ed. 2004, 43, 1466.
4. C. N. R. Rao, S. Natarajan, R. Vaidhyanathan, Angew. Chem. 2004, 115, 1490; Angew. Chem. Int. Ed. 2004, 43, 1466.
5. a) C. Janiak, Angew. Chem. 1997, 109, 1499; Angew. Chem. Int. Ed. Engl. 1997, 36, 1431;
6. a) C. Janiak, Angew. Chem. 1997, 109, 1499; Angew. Chem. Int. Ed. Engl. 1997, 36, 1431;
7. b) C. Janiak, J. Chem. Soc., Dalton Trans. 2003, 2781.
8. S. R. Batten, R. Robson, Angew. Chem. 1998, 110, 1558; Angew. Chem. Int. Ed. 1998, 37, 1460.
9. S. R. Batten, R. Robson, Angew. Chem. 1998, 110, 1558; Angew. Chem. Int. Ed. 1998, 37, 1460.
10. P. L. Hargman, D. Hargman, J. Zubieta, Angew. Chem. 1999, 111, 2798; Angew. Chem. Int. Ed. 1999, 38, 2638.
11. P. L. Hargman, D. Hargman, J. Zubieta, Angew. Chem. 1999, 111, 2798; Angew. Chem. Int. Ed. 1999, 38, 2638.
12. B. Moulton, M. Zavorotko, Chem. Rev. 2001, 101, 1629.
13. a) M. Eddaoudi, D. B. Moler, H. Li, B. Chen, T. M. Reineke, M. O'Keeffe, O. M. Yaghi, Acc. Chem. Res. 2001, 34, 319;
14. b) O. M. Yaghi, M. O'Keeffe, N. W. Ockwig, H. K. Chae, M. Eddaoudi, J. Kim, Nature 2003, 423, 705;
15. c) O. M. Yaghi, M. O'Keeffe, Kanatzidis, Special Issue of J. Solid. State Chem. 2000, 152, 1.
16. H. Eckert, M. Ward, Special issue: Organic-Inorganic Nanocomposite Materials. Chem. Mater. 2001, 13, 3061-3809. G. Férey, Chem. Mater. 2001, 13, 3084.
17. H. Eckert, M. Ward, Special issue: Organic-Inorganic Nanocomposite Materials. Chem. Mater. 2001, 13, 3061-3809. G. Férey, Chem. Mater. 2001, 13, 3084.
18. S. L. James, Chem. Soc. Rev. 2003, 32, 276.
19. a) H. Li, M. Eddaoudi, M. O'Keeffe, O. M. Yaghi, Nature 1999, 402, 276;
20. b) M. Eddaoudi, J. Kim, N. Rosi, D. Vodak, J. Wachter, M. O'Keeffe, O. M. Yaghi, Science 2002, 295, 469;
21. c) H. K. Chae, D. Y. Siberio-Pérez, J. Kim, Y. Go, M. Eddaoudi, A. J. Matzger, M. O'Keeffe, O. M. Yaghi, Nature 2004, 427, 523.
22. C. Mellot-Draznieks, J. Dutour, G. Férey, Angew. Chem. 2004, in press.
23. C. Mellot-Draznieks, J. M. Newsam, A. M. Gorman, C. M. Freeman, G. Férey, Angew. Chem. 2000, 112, 2358; Angew. Chem. Int. Ed. 2000, 39, 2270.
24. C. Mellot-Draznieks, J. M. Newsam, A. M. Gorman, C. M. Freeman, G. Férey, Angew. Chem. 2000, 112, 2358; Angew. Chem. Int. Ed. 2000, 39, 2270.
25. C. Mellot-Draznieks, G. Férey, C. Schön, Z. Cancarevic, M. Jansen, Chem. Eur. J. 2002, 8, 18, 4102.
26. G. Férey, C. Serre, C. Mellot-Draznieks, F. Millange, J. Dutour, S. Surblé, Angew. Chem. Int. Ed. 2004, in press.
27. Atlas of zeolite framework types, Ch. Baerlocher, W. M. Meier, D. H. Olson (Eds), Elsevier 2001.
28. C. Serre, F. Millange, S. Surblé, G. Férey, Angew. Chem. Int. Ed. 2004, in press.
29. A. K. Rappé, C. J. Casewit, K. S. Colwell, W. A. Goddart-III, W. M. Skiff, J. Am. Chem. Soc. 1992, 114, 10024.
30. A. K. Rappé, W. A. Goddart-III, J. Phys. Chem. B, 1991, 95, 3358.
31. Cerius2 Program suite from Accelrys, San Diego, USA and Cambridge, UK.
32. Crystal Structures; I. Patterns and Symmetry. by M. O'Keeffe and B. G. Hyde, published by the Mineralogy Society of America, Washington 1996.