Cooperativity in ionic liquids

Journal of Chemical Physics

Volumn 124, Issue 17, 2006, Pages

  Koßmann, Simone ^a   Thar, Jens ^a   Kirchner, Barbara ^a   Hunt, Patricia A ^b   Welton, Tom ^b  

^a UNIVERSITY OF BONN   (Germany)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CATIONIC POLYMERIZATION; HYDROGEN BONDS; MONOMERS; PROBABILITY DENSITY FUNCTION; PROTONS; QUANTUM THEORY; WATER;

DIPOLE MOMENTS; IONIC LIQUIDS; QUANTUM CHEMICAL CALCULATIONS; SHARED-ELECTRON NUMBER;

IONS;

EID: 34547854208     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2191493     Document Type: Article

References (63)

1. T. Welton, Chem. Rev. (Washington, D.C.) 99, 2071 (1999).
2. T. Welton, Coord. Chem. Rev. 248, 2459 (2004).
3. Z. Liu, S. Haung, and W. Wang, J. Phys. Chem. B 108, 12978 (2004).
4. J. Shah and E. Maginn, Fluid Phase Equilib. 222-223, 195 (2004).
5. T. Morrow and E. Maginn, J. Phys. Chem. B 106, 12807 (2002).
6. C. Margulis, H. Stern, and B. Berne, J. Phys. Chem. B 106, 12017 (2002).
7. J. Lopes, J. Deschamps, and A. Padua, J. Phys. Chem. B 108, 2038 (2004).
8. S. Urahata and M. Ribeiro, J. Chem. Phys. 120, 1855 (2004).
9. T. Yan, C. Burnham, M. Del Pópolo, and G. Voth, J. Phys. Chem. B 108, 11877 (2004).
10. S. Takahashi, K. Suzuya, S. Kohara, N. Koura, L. Curtiss, and M. Saboungi, Z. Phys. Chem. 209, 209 (1999).
11. Z. Meng, A. Dolle, and W. Carper, J. Mol. Struct. 585, 119 (2002).
12. A. Chaumont and G. Wipff, Inorg. Chem. 43, 5891 (2004).
13. F. Gozzo, L. Santos, R. Augusti, C. Consorti, J. Dupont, and M. Eberlin, Chem.-Eur. J. 10, 6187 (2004).
14. E. Talaty, S. Raja, V. Storhaug, A. Dolle, and W. Carper, J. Phys. Chem. B 108, 13177 (2004).
15. Y. Paulechka, G. Kabo, A. Blokhin, A. Vydrov, J. Magee, and M. Frenkel, J. Chem. Eng. Data 48, 457 (2003).
16. J. de Andrade, E. Boes, and H. Stassen, J. Phys. Chem. B 106, 13344 (2002).
17. E. Turner, C. Pye, and R. Singer, J. Phys. Chem. A 107, 2277 (2003).
18. Y. Wang, H. Li, and S. Han, J. Chem. Phys. 123, 174501 (2005).
19. P. Hunt and I. Gould, J. Phys. Chem. A 110, 2269 (2006).
20. C. G. Hanke, S. L. Price, and R. M. Lynden-Bell, Mol. Phys. 99, 801 (2001).
21. C. G. Hanke, N. Atamas, and R. M. Lynden-Bell, Green Chem. 4, 107 (2002).
22. R. M. Lynden-Bell, Mol. Phys. 101, 2625 (2003).
23. T. Yan, C. J. Burham, M. G. Del Pópolo, and G. A. Voth, J. Phys. Chem. B 108, 11877 (2004).
24. M. Bühl, A. Chaumont, R. Schurhammer, and G. Wipff, J. Phys. Chem. B 109, 18591 (2005).
25. M. G. Del Pópolo, R. M. Lynden-Bell, and J. Kohanoff, J. Phys. Chem. B 109, 5895 (2005).
26. B. L. Bhargava and S. Balasubramanian, Chem. Phys. Lett. 417, 486 (2006).
27. E. Ermakova, J. Solca, G. Steinebrunner, and H. Huber, Chem.-Eur. J. 4, 373 (1998).
28. B. Kirchner, E. Ermakova, J. Solca, and H. Huber, Chem.-Eur. J. 4, 379 (1998).
29. A. van der Avoird, E. H. T. Olthof, and P. E. S. Wormer, J. Chem. Phys. 105, 8034 (1996).
30. J. Hutter (private communication).
31. P. Salvador, N. Kobko, R. Wieczorek, and J. J. Dannenberg, J. Am. Chem. Soc. 126, 14190 (2004).
32. R. Wieczorek and J. J. Dannenberg, J. Am. Chem. Soc. 126, 14198 (2004).
33. R. A. Klein, B. Mennucci, and J. Tomasi, J. Phys. Chem. A 108, 5851 (2004).
34. B. Kirchner and M. Reiher, J. Am. Chem. Soc. 127, 8785 (2005).
35. B. Kirchner, J. Chem. Phys. 123, 204116 (2005).
36. R. Ahlrichs, M. Bär, M. Häser, H. Horn, and C. Kölmel, Chem. Phys. Lett. 162, 165 (1989); current version: see http://www.turbomole.de
37. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
38. J. P. Perdew, Phys. Rev. B 33, 8822 (1986).
39. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
40. P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. 98, 11623 (1994).
41. The TURBOMOLE basis set library is available via anonymous ftp from ftp://ftp.chemie.uni-karlsruhe.de/pub/basen
42. D. E. Woon and T. H. Dunning, J. Chem. Phys. 100, 2975 (1993).
43. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
44. F. B. van Duijneveldt, J. G. C. M. van Duijenveldt-van de Rijdt, and J. H. van Lenthe, Chem. Rev. (Washington, D.C.) 94, 1873 (1994).
45. M. Reiher, D. Sellmann, and B. A. Hess, Theor. Chem. Acc. 106, 379 (2001).
46. E. R. Davidson, J. Chem. Phys. 46, 3320 (1967).
47. K. R. Roby, Mol. Phys. 27, 81 (1974).
48. R. Heinzmann and R. Ahlrichs, Theor. Chim. Acta 42, 33 (1976).
49. C. Ehrhardt and R. Ahlrichs, Theor. Chim. Acta 68, 231 (1985).
50. M. Reiher and B. Kirchner, J. Phys. Chem. A 107, 4141 (2003).
51. J. Thar and B. Kirchner, J. Phys. Chem. A 110, 4229 (2006).
52. G. Schaftenaar and J. H. Noordik, J. Comput.-Aided Mol. Des. 14, 123 (2000).
53. S. Grimme, J. Comput. Chem. 25, 1463 (2004).
54. S. Grimme, J. Phys. Chem. A 109, 3607 (2005).
55. E. R. Johnson and A. D. Becke, J. Chem. Phys. 123, 024101 (2005).
56. W. Koch and M. C. Holthausen, A Chemist's Guide to Density Functional Theory (Wiley-VCH, Weinheim, 2000).
57. D. Martin and H. G. Hauthal, Dimethylsulfoxid (Akademie-Verlag, Berlin, 1971).
58. C. Wakai, A. Oleinikova, M. Ott, and H. Weingärtner, J. Phys. Chem. B 109, 17028 (2005).
59. C. Reichardt, Green Chem. 7, 339 (2005).
60. A. J. Arduengo, H. V. R. Dias, R. L. Harlow, and M. Kline, J. Am. Chem. Soc. 114, 5530 (1992).
61. K. N. Woods and H. Wiedemann, J. Chem. Phys. 123, 134506-1 (2005).
62. C. Hardacre, J. D. Holbrey, S. E. J. McMath, D. T. Bowron, and A. K. Soper, J. Chem. Phys. 118, 273 (2003).
63. T. Kar and S. Scheiner, J. Phys. Chem. A 108, 9161 (2004).