Alkali ion-cryptand interactions and their effects on electrolyte conductivity

Physical Chemistry Chemical Physics

Volumn 5, Issue 10, 2003, Pages 2072-2081

  Ding, Zenong ^a   Ellis, D E ^a   Sigmund, E ^a   Halperin, W P ^a   Shriver, D F ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METAL; CATION; FLUORIDE; LITHIUM;

ARTICLE; CHEMICAL STRUCTURE; DIFFUSION; ELEMENTARY PARTICLE; ENCAPSULATION; HYBRIDIZATION; ION CONDUCTANCE; LIQUID; METHODOLOGY; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PERFORMANCE; QUANTUM MECHANICS; THEORY;

EID: 0037952980     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b212879a     Document Type: Article

References (48)

1. A. D'Aprano, B. Sesta, V. Mauro and M. Salomon, J. Inclus. Phenom. Macromol. Chem., 1999, 35, 451.
2. Q. Chen, K. Cannell, J. Nicoll and D. V. Dearden, J. Am. Chem. Soc., 1996, 118, 6335.
3. J.-M. Lehn, Acc. Chem. Res., 1978, 11, 49.
4. X. X. Zhang, R. M. Izatt, J. S. Bradshaw and K. E. Krakowiak, Coord. Chem. Rev., 1998, 174, 179.
5. R. E. A. Dillon, PhD Thesis, Northwestern University, 1999.
6. D. Moras, B. Metz and R. Weiss, Acta Crystallogr., Sect. B, 1973, B29, 383.
7. D. Moras and R. Weiss, Acta Crystallogr., Sect. B, 1973, B29, 396.
8. D. Moras, B. Metz and R. Weiss, Acta Crystallogr., Sect. B, 1973, B29, 388.
9. D. Moras and R. Wiess, Acta Crystallogr., Sect. B, 1973, B29, 400.
10. Mathieu, B. Metz, D. Moras and R. Weiss, J. Am. Chem. Soc., 1978, 100, 4412.
11. B. Mertes, D. Moras and R. Weiss, J. Chem. Soc., Perkin Trans. 2, 1976, 423.
12. R. M. Izatt, J. S. Bradshaw, S. A. Nielsen, J. D. Lamb and J. J. Christensen, Chem. Rev., 1985, 85, 271.
13. A. D'Aprano, B. Sesta, A. Capabbi, M. lammarino and V. Mauro, J. Electroanal. Chem., 1996, 403, 257.
14. J. Bessiere and M. F. Lejaille, Anal. Lett., 1979, 47, 753.
15. H. Bushmann, Inorg. Chim. Acta, 1986, 125, 31.
16. A. F. D. de Namor, M. L. Zapata-Ormachea, O. Jafou and N. A. Rawi, J. Phys. Chem. B., 1997, 101, 6772.
17. J. M. Lehn and J. P. Sauvage, J. Am. Chem. Soc., 1975, 97, 6700.
18. M. H. Abraham, A. F. D. de Namor and R. A. Shultz, J. Chem. Soc., Faraday Trans. I., 1980, 76, 869.
19. E. E. Sigmund, W. P. Halperin, R. E. A. Dillon and D. F. Shriver, Phys. Rev. B, 2001, 64, 214 201.
20. M. Head-Gordon and J. C. Tully, J. Chem. Phys., 1995, 103, 10 137; J. C. Tully, M. Gomez and M. Head-Gordon, J. Vac. Sci. Technol., 1993, A11, 1914.
21. M. Head-Gordon and J. C. Tully, J. Chem. Phys., 1995, 103, 10 137; J. C. Tully, M. Gomez and M. Head-Gordon, J. Vac. Sci. Technol., 1993, A11, 1914.
22. N. Metropolis, A. W. Rosenbluth, A. H. Teller and E. Teller, J. Chem. Phys., 1953, 21, 1087.
23. K. Binder and D. E. Heermann, Monte Carlo Simulation in Statistical Physics, Springer-Verlag, Berlin, 1988.
24. L. J. LaBerge and J. C. Tully, Chem. Phys., 2000, 260, 183.
25. E. P. G. Areas, P. G. Pascotti, S. Schreier, K. C. Mundim and P. M. Bisch, J. Phys. Chem., 1995, 99, 14 882: K. C. Mundim and C. Tsallis, Int. J. Quantum Chem., 1996, 58, 373.
26. E. P. G. Areas, P. G. Pascotti, S. Schreier, K. C. Mundim and P. M. Bisch, J. Phys. Chem., 1995, 99, 14 882: K. C. Mundim and C. Tsallis, Int. J. Quantum Chem., 1996, 58, 373.
27. Zenong Ding, PhD thesis, Northwestern University, 2002.
28. P. Hohenberg and W. Kohn, Phys. Rev., Sect. B, 1964, 136, 864.
29. W. Kohn and L. J. Sham, Phys. Rev., Sect. A, 1965, 140, 1133.
30. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys., 1980, 58, 1200.
31. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett., 1980, 45, 566; D. Ceperley, Phys. Rev. B, 1978, 18, 3126.
32. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett., 1980, 45, 566; D. Ceperley, Phys. Rev. B, 1978, 18, 3126.
33. D. E. Ellis and G. S. Painter, Phys. Rev. B, 1970, 2, 2887.
34. Density Functional Theory of Molecules, Clusters, and Solids, ed. D. E. Ellis, Kluwer Academic, Dordrecht, 1995.
35. D. E. Ellis and D. Guenzburger, Adv. Quantum Chem., 1999, 34, 51.
36. D. E. Ellis and O. Warschkow, Adv. Quantum Chem., 2003, 42, 35.
37. W. Yang, Phys. Rev. Lett., 1991, 66, 1438; W. Yang, J. Mol. Struct., 1992, 255, 461; W. Yang and Z. Zhou, in Density Functional Theory of Molecules, Clusters, and Solids, ed. D. E. Ellis, Kluwer Academic, Dordrecht, 1995, p. 177; Q. Zhao, W. Yang, J. Chem. Phys., 1995, 102, 9598.
38. W. Yang, Phys. Rev. Lett., 1991, 66, 1438; W. Yang, J. Mol. Struct., 1992, 255, 461; W. Yang and Z. Zhou, in Density Functional Theory of Molecules, Clusters, and Solids, ed. D. E. Ellis, Kluwer Academic, Dordrecht, 1995, p. 177; Q. Zhao, W. Yang, J. Chem. Phys., 1995, 102, 9598.
39. W. Yang, Phys. Rev. Lett., 1991, 66, 1438; W. Yang, J. Mol. Struct., 1992, 255, 461; W. Yang and Z. Zhou, in Density Functional Theory of Molecules, Clusters, and Solids, ed. D. E. Ellis, Kluwer Academic, Dordrecht, 1995, p. 177; Q. Zhao, W. Yang, J. Chem. Phys., 1995, 102, 9598.
40. W. Yang, Phys. Rev. Lett., 1991, 66, 1438; W. Yang, J. Mol. Struct., 1992, 255, 461; W. Yang and Z. Zhou, in Density Functional Theory of Molecules, Clusters, and Solids, ed. D. E. Ellis, Kluwer Academic, Dordrecht, 1995, p. 177; Q. Zhao, W. Yang, J. Chem.
41. O. Warschkow, D. E. Ellis and J. M. Dyke, J. Comput. Phys., 1998, 143, 70.
42. D. E. Ellis and O. Warschkow, Coord. Chem. Rev., in press.
43. P. Auffinger and G. Wipff, J. Comput. Chem., 1990, 11, 19.
44. G. Wipff and P. A. Kollman, Nouv. J. Chem., 1985, 9, 457.
45. P. Auffinger and G. Wipff, J. Am. Chem. Soc., 1991, 113, 5976.
46. P. Auffinger and G. Wipff, J. Chim. Phys. Phys. Chim. Biol., 1991, 88(11-12), 2525.
47. D. A. Pearlman, D. A. Case, J. W. Caldwell, W. R. Ross, T. E. Cheatham, III, S. DeBolt, D. Ferguson, G. Seibel and P. Kollman, Comp. Phys. Commun., 1995, 91, 1, http://www. amber.ucsf.edu/amber/amber.html.
48. A. D'Aprano, B. Sesta, A. Capabbi, M. Iammarino and V. Mauro, J. Electroanal. Chem., 1996, 403, 257.