A semiempirical quantum chemical study of some local aspects of ionic conduction in poly(ethylene oxide): Ion motion and rotational barriers

Journal of Physical Chemistry A

Volumn 103, Issue 1, 1999, Pages 89-94

  Mujica, Vladimiro ^a   Malaver, Manuel ^a,b   Ruette, Fernando ^b  

^a FACULTAD DE CIENCIAS   (Venezuela)

^b INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001885398     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp980446q     Document Type: Article

References (48)

1. Gauthier, M.; Fauteux, D.; Vassort, G.; Belanger, A.; Duval, M.; Recoux, P.; Chabagno, J. M.; Muller, D.; Rigaud, P.; Armand, M. B.; Deroo, D. J. Electrochem. Soc. 1985, 132, 1333.
2. (b) Armand, M. B.; Chabagno, J. M.; Duclot, M. J. K. In Fast Ion Transport in Solids; Vashishta, P. M.; Mundy, J. N.; Shenoy, G. K., Eds.; North-Holland: Amsterdam, 1979; p 131.
3. (c) Bonino, F.; Ottaviani, M.; Scrosati, B.; Pistoria, G. J. Electrochem. Soc. 1988, 135, 12.
4. (d) Fauteux, D.; Massucca, A.; McLin, M.; Van Buren, M.; Shi, J. Electrochim. Acta 1995, 40, 2185.
5. (e) Ishikawa, M.; Ihara, M.; Morita, M.; Matsuda, Y. Electrochim. Acta 1995, 40, 2217.
6. (f) Okusaki, H.; Osada, Y. Electrochim. Acta 1995, 40, 2229.
7. (g) Harris, C. S.; Rukavina, T. G. Electrochim. Acta 1995, 40, 1995.
8. (a) Ratner, M. A.; Shriver, D. F. Chem. Rev. 1988, 88, 109.
9. (b) Tonge, J. S.; Shriver, D. F. In Polymers for Electronic Applications; Lai, J. H., Ed.; CRC Press: Boca Raton, FL, 1899; p 157.
10. (c) Gray, F. M. Solid Polymer Electrolytes; VCH: New York, 1991.
11. (d) Bruce, P. G.; Vincent, C. A. J. Chem. Soc., Faraday Trans. 1993, 89, 3187.
12. (e) MacCallum, J. R.; Vincenta, C. A. Polymer Electrolyte Reviews 1; Elsevier: London, 1987.
13. (f) MacCallum, J. R.; Vincent, C. A. Polymer Electrolyte Reviews 2; Elsevier: London, 1989.
14. (g) Chadwick, A. V.; Worboys, M. R. In Polymer Electrolyte Reviews, 1; MacCallum, J. R., Vincent, C. A., Eds.; Elsevier: London, 1987.
15. (h) Vincent, C. A. Electrochim. Acta 1995, 40, 2035.
16. Berthier, C.; Gorecki, W.; Minier, M.; Armand, M. B.; Chabagno, J. M.; Rigaud, P. Solid State Ionics, 1983, 11, 91.
17. (b) Cheradame, H.; Souquet, J. L.; Latour, J. M. Mater. Res. Bull. 1980, 15, 1173.
18. (c) Killis, A.; Le Nest, J.; Cheradame, H. Makromol. Chem. 1980, 1, 595.
19. (a) Cheradame, H. In IUPAC Macromolecules; Benoit, H., and Rempp, P., Eds. Permagon: London, 1982.
20. (b) Ansari, S. M.; Brodwin, M.; Stainer, M.; Druger, S. D.; Ratner, M. A.; Shriver, D. F. Solid State Ionics 1985, 17, 101.
21. (a) Ruette, F.; Sierraalta, A.; Hernández, A. In Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis; Ruette, F., Ed.; Kluwer: Dordrecht, 1992; p 320, and references therein.
22. (b) Thiel, W. Tetrahedron 1988, 44, 7393.
23. (c) Kolb, M.; Thiel, W. J. Comput. Chem. 1993, 14, 775.
24. Romero, M.; Primera, J.; Sánchez, M.; Brassesco, S.; Bravo, J.; Ruette, F. Folia Chim. Theor. Lat. 1995, XXIII, 45.
25. (b) Ruette, F.; Poveda, F. M.; Sierraalta, A.; Sánchez, M.; Rodríguez-Arias, E. N. J. Mol. Catal. A 1997, 119, 335.
26. (c) Sierraalta, A.; Ruette, F. Int. J. Quantum Chem., submitted for publication.
27. Ruette, F.; Hernández, A. J.; Ludeña, E. V. Surf. Sci. 1985, 151, 103.
28. (b) Sánchez, M.; Ruette, F.; Hernández, A. J. J. Phys. Chem. 1992, 96, 823.
29. (c) Rodríguez-Arias, E. N.; Rincón, L.; Ruette, F. Organometallics, 1992, 11, 3677.
30. AMPAC, Dewar Research Group, University of Texas: Austin, Texas, 1985.
31. (a) Wright, P. V.; Lee, C. C. Polymer 1982, 23, 681.
32. (b) Neat, R.; Glasse, M.; Linford, R.; Hooper, A. Solid State Ionics 1986, 18/19, 1088.
33. (a) Vogel, H. Phys. Z. 1921, 22, 645.
34. (b) Tammann, V. G.; Hesse, W. Anorg. Allg. Chem. 1926, 156, 245.
35. (d) Fulcher, G. S. J. Am. Ceram. Soc. 1925, 8, 339.
36. Papke, B. L.; Ratner, M. A.; Shriver, D. F. J. Electrochem. Soc. 1982, 129, 1694.
37. (a) Boinske, P. T.; Curtiss, L.; Halley, J. W.; Lin, B.; Sutjianto, A. J. Comput.-Aided Mater. Des. 1996, 3, 385.
38. (b) Neyertz, S., Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 100. Ph.D. Thesis, Acta Universitatis Upsaliensis, Uppsala 1995.
39. Slade, R. C. T.; Hardwick, A.; Dickens, P. G. Solid State Ionics 1983, 9/10, 1053.
40. Dewar, M. J. S.; Zoebish, G. E.; Healy, E. F.; Stewart, J. P. J. Am. Chem. Soc. 1985, 107, 3902.
41. Bingham R. C.; Dewar, M. J. S.; Lo, D. H. J. Am. Chem. Soc. 1975, 97, 1285.
42. Dewar, M. J. S.; Thiel, W. J. Am. Chem. Soc. 1976, 99, 4899.
43. Takahashi, Y.; Tadokoro, H. Macromolecules 1973, 6, 672.
44. Tanaka, K.; Yamabe, T. Adv. Quantum Chem. 1985, 17, 251.
45. Gray, H. B. Electrons and Chemical Bonding, W. A. Benjamin: New York, 1965; p 84.
46. Chatani, Y.; Okamura, S. Polymer 1987, 28, 1815.
47. Srivastava, N.; Chandra, A.; Chandra, S. Phys. Rev. B 1995, 52, 225.
48. Lonergan, M. C.; Shriver, D. F.; Ratner, M. A. Electrochim. Acta 1995, 40, 2041.