Theoretical elucidation of the dual role of [HMIm]BF4 ionic liquid as catalyst and extractant in the oxidative desulfurization of dibenzothiophene

Journal of Molecular Catalysis A: Chemical

Volumn 398, Issue , 2015, Pages 297-303

  Xu, Hao ^a   Han, Zhe ^b   Zhang, Dongju ^a   Liu, Chengbu ^a  

^a SHANDONG UNIVERSITY   (China)

^b QILU UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

1 Methylimidazolium tetrafluoroborate; DFT; Dibenzothiophene; Hydrogen peroxide; Oxidative desulfurization

Indexed keywords

AROMATIC COMPOUNDS; CATALYSTS; COMPLEXATION; DESULFURIZATION; HYDROGEN BONDS; HYDROGEN PEROXIDE; IONIC LIQUIDS; MOLECULES; POSITIVE IONS; SULFUR COMPOUNDS; SULFUR DETERMINATION;

AROMATIC SULFUR COMPOUND; DIBENZOTHIOPHENES; INTERACTION ENERGIES; INTERMOLECULAR HYDROGEN BONDS; OXIDATIVE DESULFURIZATION; SEPARATION PROCESS; TETRAFLUOROBORATES; TRANSITION STATE STRUCTURE;

DENSITY FUNCTIONAL THEORY;

EID: 84920717066     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2014.12.018     Document Type: Article

References (48)

1. J. Eßer, P. Wasserscheid, and A. Jess Green Chem. 6 2004 316 322
2. I.V. Babich, and J.A. Moulijn Fuel 82 2003 607 631
3. C. Song Catal. Today 86 2003 211 263
4. R. Shafi, and G.J. Hutchings Catal. Today 59 2000 423 442
5. X.L. Ma, K. Sakanishi, and I. Mochida Ind. Eng. Chem. Res. 33 1994 218 222
6. M. Ferrari, R. Maggi, B. Delmon, and P.J. Grange J. Catal. 198 2001 47 55
7. J.D. Holbrey, I. Lopez-Martin, G. Rothenberg, K.R. Seddon, G. Silvero, and X. Zheng Green Chem. 10 2008 87 92
8. A. Seeberger, and A. Jess Green Chem. 12 2010 602 608
9. J.L. Wang, D.S. Zhao, and K.X. Li Energy Fuels 24 2010 2527 2529
10. Y.S. Chi, C.P. Li, Q.Z. Jiao, Q.S. Liu, P.F. Yan, X.M. Liu, and U. Welz-Biermann Green Chem. 13 2011 1224 1229
11. L.N. He, H.M. Li, W.S. Zhu, J.X. Guo, X. Jiang, J.D. Lu, and Y.S. Yan Ind. Eng. Chem. Res. 47 2008 6890 6895
12. L.F. Ramirez-Verduzco, E. Torres-Garcia, R. Gomez-Quintana, V. Gonzalez-Pena, and F. Murrieta-Guevara Catal. Today 98 2004 289 294
13. J. Sipma, A.M. Henstra, S.N. Parshina, P.N.L. Lens, G. Lettinga, and A.J.M. Stams Crit. Rev. Biotechnol. 26 2006 41 65
14. A. Jayaraman, F.H. Yang, and R.T. Yang Energy Fuels 20 2006 909 914
15. A.B. Pereiro, and A. Rodriguez AIChE J. 56 2010 381 386
16. T. Ramnial, D.D. Ino, and J.A.C. Clyburne Chem. Commun. 3 2005 325 327
17. A.P. Abbott, G. Capper, D.L. Davies, R.H. Rasheed, and V. Tambyrajah Green Chem. 4 2002 24 26
18. P. Bonhôte, A.-P. Dias, N. Papageorgiou, K. Kalyanasundaram, and M. Grätzel Inorg. Chem. 35 1996 1168 1178
19. F. Endres, and S.Z. El Abedin Phys. Chem. Chem. Phys. 8 2006 2101 2116
20. J.F. Wishart, and E.W. Castner Jr. J. Phys. Chem. B 111 2007 4639 4640
21. R.D. Rogers, and G.A. Voth Acc. Chem. Res. 40 2007 1077 1078
22. T. Welton Chem. Rev. 99 1999 2071 2084
23. K.R. Seddon J. Chem. Technol. Biotechnol. 68 1997 351 356
24. C. Chiappe, and D. Pieraccini J. Phys. Org. Chem. 18 2005 275 297
25. J. Ranke, S. Stolte, R. Störmann, J. Arning, and B. Jastorff Chem. Rev. 107 2007 2183 2206
26. H. Sun, B.F. Qiao, D.J. Zhang, and C.B. Liu J. Phys. Chem. A 114 2010 3990 3996
27. A. Arce, H. Earle, H. Rodriguez, K.R. Seddon, and A. Soto Green Chem. 10 2008 1294 1300
28. H.S. Gao, Y.G. Li, Y. Wu, M.F. Luo, Q. Li, J.M. Xing, and H.Z. Liu Energy Fuels 23 2009 2690 2694
29. P. Scovazzo J. Membr. Sci. 343 2009 199 211
30. J. Palgunadi, J.E. Kang, D.Q. Nguyen, J.H. Kim, B.K. Min, S.D. Lee, H. Kim, and H.S. Kim Thermochim. Acta 494 2009 94 98
31. S.G. Zhang, and Z.C. Zhang Green Chem. 4 2002 376 379
32. A. Bösmann, L. Datsevich, A. Jess, A. Lauter, C. Schmitz, and P. Wasserscheid Chem. Commun. 23 2001 2494 2495
33. D.S. Zhao, J.L. Wang, and E.P. Zhou Green Chem. 9 2007 1219 1222
34. L. Lu, S.F. Cheng, J.B. Gao, G.H. Gao, and M.Y. He Energy Fuels 21 2007 383 384
35. J.L. Wang, D.S. Zhao, and K.X. Li Energy Fuels 23 2009 3831 3834
36. W. Zhang, K. Xu, Q. Zhang, D.L. Liu, S.Y. Wu, F. Werpoort, and X.M. Song Ind. Eng. Chem. Res. 49 2010 11760 11763
37. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian 03 Revision D.01 2004 Gaussian Inc. Wallingford C.T
38. A.D. Becke Phys. Rev. A 38 1988 3098 3100
39. C. Lee, W.T. Yang, and R.G. Parr Phys. Rev. B 37 1988 785 789
40. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244 13249
41. A.D. Becke J. Chem. Phys. 98 1993 5648 5652
42. K. Fukui J. Phys. Chem. 74 1970 4161 4163
43. K. Fukui Acc. Chem. Res. 14 1981 363 368
44. B.S. Jursic J. Mol. Struct. (THEOCHEM) 389 1997 251 256
45. H. Soscún, Y. Alvarado, J. Hernández, P. Hernández, R. Atencio, and A. Hinchliffe J. Phys. Org. Chem. 14 2001 709 715
46. D.J. Williams, W.T. Pennington, D. VanDerveer, J.T. Anderton, and K.M. White J. Chem. Cryst. 33 2003 465 472
47. K. Matsumoto, R. Hagiwara, Z. Mazej, P. Benkič, and B. Žemva Solid State Sci. 8 2006 1250 1257
48. K. Fukui, T. Yonezawa, and H. Shingu J. Chem. Phys. 20 1952 722 725