Uranyl coordination in ionic liquids: The competition between ionic liquid anions, uranyl counterions, and Cl- anions investigated by extended X-ray absorption fine structure and UV-visible spectroscopies and molecular dynamics simulations

Inorganic Chemistry

Volumn 46, Issue 12, 2007, Pages 4815-4826

  Gaillard, C ^a   Chaumont, A ^b   Billard, I ^a   Hennig, C ^c   Ouadi, A ^a   Wipff, G ^b  

^a INSTITUT DE RECHERCHES SUBATOMIQUES   (France)

^b UMR 7509 du CNRS   (France)

^c INSTITUTE OF ION BEAM PHYSICS AND MATERIALS RESEARCH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34347249591     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic061864+     Document Type: Article

References (67)

1. Welton, T. Chem. Rev. 1999, 99, 2071.
2. Rogers, R. D.; Seddon, K. R. In Ionic Liquids: Industrial Applications for Green Chemistry; Rogers, R. D., Seddon, K. R., Eds.; ACS Symposium Series; American Chemical Society: Washington DC, 2002; p 818.
3. Allen, D.; Baston, G. M.; Bradley, A. E.; Gorman, T.; Haile, A.; Hamblett, I.; Hatter, J. E.; Healey, M. J.; Hodgston, B.; Lewin, R.; Lovell, K. V.; Newton, B.; Pitner, W. R.; Rooney, D. W.; Sanders, D.; Seddon, K. R.; Sims, H. E.; Thied, R. C. Green Chem. 2002, 4, 152.
4. Berthon, L.; Nikitenko, S.; Bisel, I.; Berthon, C.; Faucon, M.; Saucerotte, B.; Zorz, N.; Moisy, P. Dalton Trans. 2006, 2526.
5. Huddleston, J. G.; Visser, A. E.; Reichert, W. M.; Willauer, H. D.; Broker, G. A.; Rogers, R. D. Green Chem. 2001, 3, 156.
6. Suarez, P. A.; Einloft, S.; Dullius, J. E.; De Suza, R. F.; Dupont, J. J. Chem. Phys. 1998, 95, 1626.
7. Oldham, W. J.; Costa, D. A.; Smith, W. H. In Ionic Liquids: Industrial Applications for Green Chemistry; Rogers, R. D., Seddon, K. R., Eds.; ACS Symposium Series; American Chemical Society: Washington, DC, 2002; Vol. 15, p 188.
8. Bhatt, A. I.; May, I.; Volkovich, V. A.; Collison, D.; Helliwell, M.; Polovov, I. B.; Lewin, R. Inorg. Chem. 2005, 44, 4934.
9. Baston, G. M.; Bradley, A. E. Ionic Liquids for the Nuclear Industry: A Radiochemical, Structural and Electrochemical Investigation. In Ionic Liquids: Industrial Applications for Green Chemistry; Rogers, R. D., Seddon, K. R., Eds.; ACS Symposium Series; American Chemical Society: Washington DC, 2002; p 162.
10. Bhatt, A. I.; Duffy, N. W.; Collison, D.; May, I.; Lewin, R. G. Inorg. Chem. 2006, 45, 1677.
11. Gaillard, C.; Moutiers, G.; Mariet, C.; Antoun, T.; Gadenne, B.; Hesemann, P.; Moreau, J. J. E.; Ouadi, A.; Labet, A.; Billard, I. In Ionic Liquids III: Fundamentals, Progress, Challenges, and Opportunities; Rogers, R. D., Seddon, K. R., Eds.; Oxford University Press: New York, 2005; Vol. B, p 19.
12. Jensen, M. P.; Neuefeind, J.; Beitz, J. V.; Skanthakumar, S.; Soderholm, L. J. Am. Chem. Soc. 2003, 125 (50), 15466.
13. Guoxin, T.; Yongjun, Z.; Jingming, X.; Ping, Z. Inorg. Chem. 2003, 42, 735.
14. Dai, S.; Ju, Y. H.; Barnes, C. E. J. Chem. Soc., Dalton Trans. 1999, 1201.
15. Jensen, M. P.; Dzielawa, J. A.; Rickert, P.; Dietz, M. L. J. Am. Chem. Soc. 2002, 124, 10664.
16. Visser, A. E.; Swatloski, R. P.; Reichert, W. M.; Griffin, S. T.; Rogers, R. D. Ind. Eng. Chem. Res. 2000, 39, 3596.
17. Visser, A. E.; Swatloski, R. P.; Reichert, W. M.; Mayton, R.; Sheff, S.; Wierzbicki, A.; Rogers, R. D. Environ. Sci. Technol. 2002, 36, 2523.
18. Ouadi, A.; Gadenne, B.; Hesemann, P.; Moreau, J. J. E.; Billard, I.; Gaillard, C.; Mekki, S.; Moutiers, G. Chem. - Eur. J. 2006, 12, 3074.
19. Lee, S.-G. Chem. Commun. 2006, 1049.
20. Dietz, M. L.; Stepinski, D. C. Green Chem. 2005, 7, 747.
21. Dietz, M. L.; Dzielawa, J. A.; Laszak, I.; Young, B. A.; Jensen, M. P. Green Chem. 2003, 5, 682.
22. Cocalia, V. A.; Jensen, M. P.; Holbrey, J. D.; Spear, S. K.; Stepinski, D. C.; Rogers, R. D. Dalton Trans. 2005, 1966.
23. Visser, A. E.; Rogers, R. D. J. Solid State Chem. 2003, 171, 109.
24. Nikitenko, S.; Moisy, P. Inorg. Chem. 2006, 45, 1235.
25. Schurhammer, R.; Wipff, G. J. Phys. Chem. B 2007, 110, 4659.
26. Mudring, A.-V.; Babai, A.; Arenz, S.; Giernoth, R. Angew. Chem., Int. Ed. 2005, 44, 5485.
27. Cocalia, V. A.; Gutowski, K. E.; Rogers, R. D. Coord. Chem. Rev. 2006, 250, 755.
28. Driesen, K.; Nockemann, P.; Binnemans, K. Chem. Phys. Lett. 2004, 395, 306.
29. Billard, I.; Mekki, S.; Gaillard, C.; Hesemann, P.; Moutiers, G.; Mariet, C.; Labet, A.; Bunzli, J. C. Eur. J. Inorg. Chem. 2004, 1190.
30. Gaillard, C.; Billard, I.; Chaumont, A.; Mekki, S.; Ouadi, A.; Denecke, M. A.; Moutiers, G.; Wipff, G. Inorg. Chem. 2005, 44, 8355.
31. Bouby, M. Thesis, University L. Pasteur, Strasbourg, France, 1998.
32. Newville, M. J. Synchrotron Radiat. 2001, 8, 322.
33. Newville, M.; Ravel, B.; Haskel, D.; Rehr, J. J.; Stern, A.; Yacoby, Y. Physica B 1995, 208-209, 154.
34. Ankudinov, A.; Rehr, J. J. Phys. Rev. B 2000, 62, (4), 2437.
35. Watkin, D. J.; Denning, R. G.; Prout, K. Acta Crystallogr., Sect. C 1991, 47, 2517.
36. Shuvalov, R. R.; Burns, P. C. Acta Crystallogr., Sect. C 2003, 59, 71.
37. Fischer, A. Z. Anorg. Allg. Chem. 2003, 629, 1012.
38. Case, D. A.; Pearlman, D. A.; Caldwell, J. W.; Cheatham, T. E., III; Wang, J.; Ross, W. S.; Simmerling, C. L.; Darden, T. A.; Merz, K. M.; Stanton, R. V.; Cheng, A. L.; Vincent, J. J.; Crowley, M.; Tsui, V.; Gohlke, H.; Radmer, R. J.; Duan, Y.; Pitera, J.; Massova, I.; Seibel, G. L.; Singh, U. C.; Weiner, P. K.; Kollman, P. A. AMBER7; University of California: San Francisco, CA, 2002.
39. de Andrade, J.; Böes, E. S.; Stassen, H. J. Phys. Chem. B 2002, 106, 3546.
40. Kaminski, G. A.; Jorgensen, W. L. J. Chem. Soc., Perkin Trans. 2 1999, 2, 2365.
41. Canongia-Lopes, J. N.; Padua, A. A. H. J. Phys. Chem. B 2004, 108, 16893.
42. Guilbaud, P.; Wipff, G. J. Mol. Struct.: THEOCHEM 1996, 366, 55.
43. Baaden, M.; Berny, F.; Madic, C.; Wipff, G. J. Phys. Chem. A 2000, 104, 7659.
44. Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 5179.
45. Darden, T. A.; York, D. M.; Pedersen, L. G. J. Chem. Phys. 1993, 98, 10089.
46. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A. J. Chem. Phys. 1984, 81, 3684.
47. Tokuda, H.; Hayamizu, K.; Ishii, K.; Susan, M. A. B. H.; Watanabe, M. J. Phys. Chem. B 2004, 108, 16593.
48. Rabinowitch, E.; Belford, R. L. Spectroscopy and Photochemistry of Uranyl Compounds; Macmillan: New York, 1964.
49. Bhatt, A. I.; Kinoshita, H.; Koster, A. L.; May, I.; Sharrad, C.; Steele, H. M.; Volkovich, V. A.; Fox, O. D.; Jones, C. J.; Lewin, B. G.; Charnok, J. M.; Hennig, C. Proceedings of Atalante, Nimes, France, June 21-24, 2004.
50. Allen, P. G.; Bucher, J. J.; Shuh, D. K.; Edelstein, N. M.; Reich, T. Inorg. Chem. 1997, 36, 4676.
51. Gaillard, C.; El Azzi, A.; Billard, I.; Bolvin, H.; Hennig, C. Inorg. Chem. 2005, 44, 852.
52. Görller-Wallrand, C.; De Houwer, S.; Fluyt, L.; Binnemans, K. Phys. Chem. Chem. Phys. 2004, 6, 3292.
53. Servaes, K.; Hennig, C.; Van Deun, R.; Görller-Wallrand, C. Inorg. Chem. 2005, 44, 7705.
54. Sornein, M.-O.; Cannes, C.; Le Naour, C.; Lagarde, G.; Simoni, E.; Berthet, J.-C. Inorg. Chem. 2006, 45, 10419.
55. Hennig, C.; Tutschku, J.; Rossberg, A.; Bernhard, G.; Scheinost, A. C. Inorg. Chem. 2005, 44, 6655.
56. John, G. H.; May, I.; Collison, D.; Helliwell, M. Polyhedron 2004, 23, 3097.
57. Walker, S. M.; Halasyamani, P. S.; Allen, S.; O'Hare, D. J. Am. Chem. Soc. 1999, 121, 10513.
58. Almond, P. M.; Talley, C. E.; Bean, A. C.; Peper, S. M.; Albrecht-Schmitt, T. E. J. Solid State Chem. 2000, 154, 635.
59. Cahill, C. L.; Burns, P. C. Inorg. Chem. 2001, 40, 1347.
60. Allen, S.; Barlow, S.; Halasyamani, P. S.; Mosselmans, J. F.; O'Hare, D.; Walker, S. M.; Walton, R. I. Inorg. Chem. 2000, 39, 3791.
61. Vallet, V.; Wahlgren, U.; Schimmelpfennig, B.; Moll, H.; Szabo, Z.; Grenthe, I. Inorg. Chem. 2001, 40, 3516.
62. 2 in the IL but this would require using much bigger solvent boxes, leading to prohibitive computational costs.
63. + cations, within 10 Å.
64. Hunt, P. Mol. Simul. 2006, 32, 1.
65. Chaumont, A.; Wipff, G. Inorg. Chem. 2004, 43, 5891.
66. Dai, S.; Shin, Y. S.; Toth, L. M.; Barnes, C. E. Inorg. Chem. 1997, 36, 4900.
67. Chaumont, A.; Wipff, G. Phys. Chem. Chem. Phys. 2005, 7, 1926.