Theoretical Study on Ionic Liquid Based on 1-Ethyl-3-Methyl- Imidazolium Cation and Hexafluorophosphate or Tetrafluoroborate

Journal of Natural Gas Chemistry

Volumn 16, Issue 4, 2007, Pages 428-436

  L̈u, Renqing ^a   Cao, Zuogang ^a   Shen, Guoping ^a  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

Author keywords

BF 4; density functional theory; EMIM+; Hartree Fock; ionic liquid; PF 6

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; IONIC LIQUIDS; MELTING POINT; NEGATIVE IONS; POSITIVE IONS;

ETHYL-METHYL-IMIDAZOLIUM CATION; HEXAFLUOROPHOSPHATE; TETRAFLUOROBORATE;

ELECTRONIC STRUCTURE;

EID: 38649123742     PISSN: 10039953     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-9953(08)60016-X     Document Type: Article

References (45)

1. Binnemans K. Chem Rev 105 11 (2005) 4148
2. Welton T. Chem Rev 99 8 (1999) 2071
3. Chauvin Y., and Olivier-Bourbigou H. Chemtech 25 9 (1995) 26
4. Renner R. Environ Sci Technol A-pages 35 19 (2001) 410A
5. Wasserscheid P., and Keim W. Angew Chem Int Ed 39 21 (2000) 3772
6. Dupont J., de Souza R., and Suarez P. Chem Rev 102 10 (2002) 3667
7. Shi F., Gu Y., Zhang Q., and Deng Y. Catal Surveys from Asia 8 3 (2004) 179
8. Chaumont A., Engler E., and Wipff G. Inorg Chem 42 17 (2003) 5348
9. Hanke C., Atamas N., and Lynden-Bell R. Green Chem 4 2 (2002) 107
10. Shah J., Brennecke J., and Maginn E. Green Chem 4 2 (2002) 112
11. Morrow T., and Maginn E. JPhysChemB 106 49 (2002) 12807
12. Margulis C., Stern H., and Berne B. J Phys Chem B 106 46 (2002) 12017
13. Domanska U., and Mazurowska L. Fluid Phase Equilibria 221 1-2 (2004) 73
14. de Andrade J., Boes E., and Stassen H. J Phys Chem B 106 14 (2002) 3546
15. Lynden-Bell R., Kohanoff J., and Del Popolo M. Faraday Discussion 129 (2005) 57
16. Kirillov S. JMolLiquids 76 1-2 (1998) 35
17. Hanke C., Price S., and Lynden-Bell R. Mol Phys 99 10 (2001) 801
18. Carper W R, Meng Z, Wasserscheid P, Dölle A. XIII International Symposium on Molten Salts, Trulove P C, Delong H C, Mantz R A, eds. Electrochemical Society Proceedings, 2003, 2002-19: 973
19. Antony J., Mertens D., Breitenstein T., Dolle A., Wasserscheid P., and Carper W. Pure Appl Chem 76 1 (2004) 255
20. Shah J., and Maginn E. JPhysChemB 109 20 (2005) 10395
21. Berg R., Deetlefs M., Seddon K., Shim I., and Thompson J. JPhysChemB 109 40 (2005) 19018
22. Meng Z., D̈olle A., and Carper W. JMolStru (Theochem) 585 1-3 (2002) 119
23. Sitze M., Schreiter E., Patterson E., and Freeman R. Inorg Chem 40 10 (2001) 2298
24. Davis L., Dymek Jr. C., Stewart J., Clark H., and Lauderdale W. JAmChemSoc 107 18 (1985) 5041
25. Schreiter E., Stevens J., Ortwerth M., and Freeman R. Inorg Chem 38 17 (1999) 3935
26. Takahashi S., Suzuya K., Kohara S., Koura N., Curtiss L., and Saboungi M.-L. Z Phys Chem 209 1 (1999) 209
27. Turner E., Pye C., and Singer R. JPhysChemA 107 13 (2003) 2277
28. Buehl M., Chaumont A., Schurhammer R., and Wipff G. J Phys Chem B 109 39 (2005) 18591
29. Ling G., and Koura N. Denki Kagaku oyobi Kogyo Butsuri Kagaku 65 2 (1997) 149
30. Won J., Kim D., Kang Y., Choi D., Kim H., Kim C., and Kim C. J Membrane Sci 260 1-2 (2005) 37
31. Lee S., Jung J., and Han Y.-K. Chem Phys Lett 406 4-6 (2005) 332
32. Yang J., Tian P., He L., and Xu W. Fluid Phase Equilibria 204 2 (2003) 295
33. Yang J., Tian P., Xu W., Xu B., and Liu S. Thermochimica Acta 412 1-2 (2004) 1
34. Yang J., Jin Y., Xu Q., Zhang W., and Zang S. Fluid Phase Equilibria 227 1 (2005) 41
35. Frisch M., Trucks G., Schlegel H., Gill P., Johnson B., Robb M., Cheeseman J., Keith A., Petersson G., Montgomery J., Raghavachari K., Al-Laham M., Zakrzeski V., Ortiz J., Foresman J., Cioslowski J., Stefanov B., Nanayakkara A., Challacombe M., Peng C., Ayala P., Chen W., Wong M., Andres J., Replogl E., Gomperts R., Martin R., Fox D., Binkley J., Defrees D., Baker J., Stewart J., Head-Gordon M., Gonzalez C., and People J. Gaussian94 (RevisonB. 1) (1995), Gaussian Inc, Pittsburg PA
36. van Duijneveldt F., van Duijneveldt-van de Rijdt J.G., and vanLenthe J. Chem Rev 94 7 (1994) 1873
37. Yap G., Rheingold A., Das P., and Crabtree R. Inorg Chem 34 13 (1995) 3474
38. Matsumoto K., Tsuda T., Hagiwara R., Ito Y., and Tamada O. Solid State Sci 4 1 (2002) 23
39. van Santen R., and Kramer G. Chem Rev 95 3 (1995) 637
40. Braga D., Grepioni F., Byrne J., and Wolf A. JChemSoc, Chem Commun 10 (1995) 1023
41. Foster J., and Weinhold F. JAmChemSoc 102 24 (1980) 7211
42. Reed A., Curtiss L., and Weinhold F. Chem Rev 88 6 (1988) 899
43. Paulechka Y., Kabo G., Blokhin A., Vydrov O., Magee J., and Frenkel M. JChemEngData 48 3 (2003) 457
44. Del Bene J., Person W., and Szczepaniak K. Chem Phys Lett 247 1-2 (1995) 89
45. Bondi A. J Phys Chem 68 3 (1964) 441