Theoretical study of CF3SO3Li, (CF3SO2)2NLi, and (CF3SO2)2CHLi ion pairs

Journal of Physical Chemistry

Volumn 100, Issue 26, 1996, Pages 10882-10891

  Arnaud, R ^a   Benrabah, D ^a   Sanchez, J Y ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0013478820     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953259q     Document Type: Article

References (36)

1. Armand, M.; Sanchez, J-Y.; Gauthier, M.; Choquette, Y. In Electrochemistry of Novel Materials; Lipkowski, J.; Ross, P. N.; Eds.; VCH Publishers: New York, 1993; Vol. III, 65.
2. Abraham, K. M.; Goldman, J. L.; Natwig, D. L. J. Electrochem. Soc. 1982, 129, 2404.
3. Sylla, S.; Sanchez, J-Y.; Armand, M. Electrochim. Acta 1992, 37, 1699.
4. Goulart, G.; Sanchez, J-Y.; Armand, M. Electrochim. Acta 1992, 37, 1731.
5. Roux, C.; Sanchez, J-Y. Electrochim. Acta 1995, 40, 953.
6. Alloin, F.; Sanchez, J-Y.; Armand, M.; J. Electrochem. Soc. 1994, 141, 1915.
7. Dominey, L. A.; Koch, V. R.; Blakley, T. J. Electrochim. Acta 1992, 37, 1551.
8. Benrabah, D.; Baril, D.; Sanchez, J-Y.; Armand, M.; Gard, G. G. J. Chem. Soc., Faraday Trans. 1993, 89, 355.
9. Bencivenni, L.; Caminiti, R.; Feltrin, A.; Ramondo, F.; Sadun, C. J. Mol. Struct. (THEOCHEM) 1992, 257, 369.
10. (a) Gejji, S. P.; Hermansson, K.; Lindgren, J. J. Phys. Chem. 1993, 97, 3712;
11. (b) Gejji, S. P.; Hermansson, K.; Lindgren, J. J. Phys. Chem. 1994, 98, 8687.
12. Huang, W.; Frech, R.; Wheeler, R. A. J. Phys. Chem. 1994, 98, 100.
13. Burk, P.; Koppel, I. A.; Tapfer, J.; Anvia, F.; Taft, R. W. J. Mol. Struct. (THEOCHEM) 1994, 315, 191.
14. Benrabah, D.; Arnaud, R.; Sanchez, J-Y. Electrochim. Acta 1995, 40, 2437.
15. Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Repogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; DeFrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSSIAN92; Gaussian Inc.: Pittsburgh, PA, 1992.
16. For a description of basis sets, see: Hehre, W.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986.
17. Spitznagel, G. W.; Clarck, T.; Chandrasekhar, J.; Schleyer, P. v. R. J. Comput. Chem. 1982, 3, 363.
18. NBO Version 3.1. Glendening, E. D.; Reed, A. E.; Carpenter, E.; Weinhold, F.
19. For a description of this program, see: Glendening, E. D.; Reed, A. E.; Carpenter, E.; Weinhold, F. NBO 3.0 Program Manual, QCPE Program No. 504.
20. Curtiss, L. A.; Pochatko, D. J.; Reed, A. E.; Weinhold, F. J. Chem. Phys. 1983, 82, 2679.
21. Tyrrel, J.; Weinstock, R. B.; Weinhold, F. Int. J. Quantum Chem. 1981, 19, 781.
22. Horn, H.; Ahlrichs, R. J. Am. Chem. Soc. 1990, 112, 2121.
23. Magnusson, E. J. Phys. Chem. 1994, 98, 12558.
24. Francisco, J. S.; Williams, I. H. J. Phys. Chem. 1990, 94, 8522.
25. Wiberg, K. B.; Rablen, P. R. J. Comput. Chem. 1993, 14, 1504.
26. Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
27. (a) Kakihana, M.; Schantz, S.; Torell, L. M. J. Chem. Phys. 1990, 92, 6271.
28. (b) Ferry, A.; Jacobsson, P.; Torell, L. M. Electrochim. Acta 1995, 40, 2369.
29. Manning, J.; Frech, R. Polymer 1992, 33, 3487.
30. (a) Chatani, Y.; Okamura, S. Polymer 1987, 28, 1815.
31. (b) Lightfoot, P.; Mehta, M. A.; Bruce, P. G. Science, 1993, 262, 883.
32. Roux, C.; Gorecki, W.; Sanchez, J-Y.; Jeannin, M.; Beloritzky, E. SSI 10, 10th International Conference on Solid State Ionics, Singapore: Submitted to J. Phys.
33. Alloin, F.; Benrabah, D.; Sanchez, J-Y. Presented at IMLB 8, 8th International Meeting on Lithium Batteries, Nagoya, Japan, 1996.
34. Gray, F. Solid Polymer Electrolytes; VCH Publishers: New York, 1991.
35. Benrabah, D. Ph.D. Grenoble, 1993.
36. Nowinski, J. L; Lightfoot, P.; Bruce, P. G. J. Mater. Chem. 1994, 4, 1579.