Computational simulation study towards the synthesis of extra-large microporous materials

Microporous and Mesoporous Materials

Volumn 101, Issue 3, 2007, Pages 406-412

  Li, Jiyang ^a   Yu, Jihong ^a   Xu, Ruren ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Charge density matching; Extra large micropore; Host guest; Non bonding interaction; Space matching

Indexed keywords

CHARGE DENSITY; COMPUTATION THEORY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; SYNTHESIS (CHEMICAL); ZEOLITES;

CHARGE-DENSITY MATCHING; EXTRA-LARGE MICROPORE; NON-BONDING INTERACTION; SPACE MATCHING;

MICROPOROUS MATERIALS;

CHARGE DENSITY; COMPUTATION THEORY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; MICROPOROUS MATERIALS; SYNTHESIS (CHEMICAL); ZEOLITES;

EID: 33947529469     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2006.11.035     Document Type: Article

References (39)

1. Davis M.E. Nature 412 (2002) 813
2. Cheetham A.K., Férey G., and Loiseau T. Angew. Chem. Int. Ed. 38 (1999) 3268
3. Zones S.I., and Davis M.E. Curr. Opin. Sol. Stat. Mater. Sci. 1 (1996) 107
4. Corma A., and Davis M.E. Chem. Phys. Chem. 5 (2004) 304
5. Balkus Jr. K.J. In: Karlin K.D. (Ed). Progress in Inorganic Chemistry 50 (2001), John Wiley and Sons 217
6. Akporiaye D.E. Angew. Chem. Int. Ed. 37 (1998) 2456
7. Wagner P., Yoshikawa M., Lovallo M., Tsuji K., Tsapatsis M., and Davis M.E. Chem. Commun. (1997) 2179
8. Balkus Jr. K.J., Gabrielov A.G., Zones S.I., and Chan I.Y. Petr. Preprints 40 (1995) 296
9. Wessels T., Baerlocher C., McCusker L.B., and Creyghton E.J. J. Am. Chem. Soc. 121 (1999) 6242
10. Corma A., Díaz-Cabanãs M.J., Jordá J.L., Martínez C., and Moliner M. Nature 449 (2006) 842
11. Davis M.E., Saldarriaga C., Montes C., Graces J.M., and Crowder C. Nature 331 (1988) 698
12. Loiseau T., and Férey G. J. Solid State Chem. 111 (1994) 403
13. Sassoy C., Marrat J., Loiseau T., and Férey G. Chem. Mater. 14 (2002) 1340
14. Thirumurugan A., and Natarajan S. Dalton Trans. (2003) 3387
15. Sassoy C., Loiseau T., Taulelle F., and Férey G. Chem. Commun. (2000) 943
16. Beitone L., Marrot J., Loiseau T., Férey G., Henry M., Huguenard C., Gansmuller A., and Taulelle F. J. Am. Chem. Soc. 125 (2003) 1912
17. Huo Q., and Xu R. J. Chem. Soc. Chem. Commun. (1992) 1391
18. Chippindale A.M., Peacock K.J., and Cowley A.R. J. Solid State Chem. 145 (1999) 379
19. Rodgers J.A., and Harrison W.T.A. J. Mater. Chem. 10 (2000) 2853
20. Yang G., and Sevov S.C. J. Am. Chem. Soc. 121 (1999) 8389
21. Liang J., Li J., Yu J., Chen P., Fang Q., Sun F., and Xu R. Angew. Chem. Int. Ed. 45 (2006) 2546
22. Lin C.H., Wang S.L., and Lii K.H. J. Am. Chem. Soc.123 (2001) 4649
23. Choudhury A., Natarajan S., and Rao C.N.R. Chem. Commun. (1999) 1305
24. Khan M.I., Meyer L.M., Haushalter R.C., Schweitzer A.L., Zubieta J., and Dye J.L. Chem. Mater. 8 (1996) 43
25. Plévert J., Gentz T.M., Laine A., Li H., Young V.G., Yaghi O.M., and O'Keeffe M. J. Am. Chem. Soc. 123 (2001) 12706
26. Lin Z., Zhang J., Zhao J., Zheng S., Pan C., Wang G., and Yang G. Angew. Chem. Int. Ed. 44 (2005) 6881
27. Zhou Y., Zhu H., Chen Z., Chen M., Xu Y., Zhang H., and Zhao D. Angew. Chem. Int. Ed. 40 (2001) 2166
28. Zou X., Conradsson T., Klingstedt M., Dadachov M.S., and O'Keeffe M. Nature 437 (2005) 716
29. Liang J., Li J., Yu J., Chen P., Li L., and Xu R. J. Solid State Chem. 179 (2006) 1977
30. Davis M.E. Chem. Mater. 3 (1997) 1745
31. Gier T.E., and Stucky G.D. Nature 349 (1991) 508
32. 2 program 3.8 (Accelrys Inc.).
33. E. de Vos Burchart, Studies on Zeolites; Molecular Mechanics, Framework Stability and Crystal Growth, Ph.D. thesis, Technische Universiteit Delft, 1992.
34. Mayo S.L., Olafson B.D., and Goddard W.A. J. Phys. Chem. 94 (1990) 8897
35. Li J., Yu J., Yan W., Xu Y., Xu W., Qiu S., and Xu R. Chem. Mater. 11 (1999) 2600
36. Yu J., Li J., Wang K., Xu R., Sugiyama K., and Terasaki O. Chem. Mater. 12 (2000) 3783
37. Feng P., Bu X., and Stucky G.D. Nature 388 (1997) 735
38. Bu X., Feng P., and Stucky G.D. J. Am. Chem. Soc. 120 (1998) 11204
39. L. Li, J. Li, J. Yu, R. Xu, Micropor. Mesopor. Mater., in preparation.