BTP-based ligands and their complexes with Eu3+ at “oil”/water interfaces. A molecular dynamics study

Physical Chemistry Chemical Physics

Volumn 12, Issue 36, 2010, Pages 11089-11102

  Benay, G ^a   Schurhammer, R ^a   Wipff, G ^a  

^a UMR 7509 du CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77956388460     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c000772b     Document Type: Article

References (62)

1. L. Cecille, M. Casarci, and L. Pietrelli, New Separation Chemistry Techniques for Radioctive Waste and other Specific Applications, ed. Commission of the European Communities, Elsevier Applied Science, London, New York, 1991
2. J. N. Mathur, M. S. Murali, K. L. Nash Solvent Extr. Ion Exch., 2001, 19, 357-390
3. C. Madic, M. Lecomte, P. Baron, B. Boullis C. R. Phys., 2002, 3, 797-811
4. H. H. Dam, D. N. Reinhoudt, W. Verboom Chem. Soc. Rev., 2007, 36, 367-377
5. K. L. Nash Solvent Extr. Ion Exch., 1993, 11, 729-768
6. J. H. Forsberg Coord. Chem. Rev., 1973, 10, 195-226
7. C. Ekberg, A. Fernvick, T. Retegan, G. Skarnemark, M. Foreman, M. Hudson, S. Englund, M. Nilsson Radiochim. Acta, 2008, 96, 225-235
8. Z. Kolarik, U. Müllich, F. Gassner Solvent Extr. Ion Exch., 1999, 17, 1155.
9. M. Weigl, A. Geist, U. Müllich, K. Gompper Solvent Extr. Ion Exch., 2006, 24, 845.
10. M.-C. Charbonnel, T. H. Vu, N. Boubals, L. Couston, F. Arnaud Proceedings of ISEC 2008-Vol II, 2008, 1043-1048
11. M. G. B. Drew, D. Guillaneux, M. J. Hudson, P. B. Iveson, M. L. Russel, C. Madic Inorg. Chem. Commun., 2001, 4, 12.
12. M. Denecke, A. Rossberg, P. Panak, M. Weigl, B. Schimmelpfenning, A. Geist Inorg. Chem., 2005, 44, 8418.
13. S. Colette, B. Amekraz, C. Madic, L. Berthon, G. Cote, C. Moulin Inorg. Chem., 2004, 43, 6745-6751
14. S. Colette, B. Amekraz, C. Madic, L. Berthon, G. Cote, C. Moulin Inorg. Chem., 2002, 41, 7031.
15. D. Guillaumont THEOCHEM, 2006, 771, 105.
16. L. Petit, C. Adamo, P. Maldivi Inorg. Chem., 2006, 45, 8517.
17. Z. Kolarik Chem. Rev., 2008, 108, 4208.
18. C. Hill, D. Guillaneux, X. Hérès, N. Boubals, L. Ramain Atalante 2000, Avignon, 2000
19. M. Nilsson, S. Andersson, C. Ekberg, M. Foreman, M. Hudson, G. Skarnemark Radiochim. Acta, 2006, 94, 103-106
20. M. J. Hudson, C. E. Boucher, D. Braekers, J. F. Desreux, M. G. B. Drew, M. S. J. Foreman, L. M. Harwood, C. Hill, C. Madic, F. Marken, T. G. A. Youngs New J. Chem., 2006, 30, 1171-1183
21. T. Retegan, C. Ekberg, A. Fermvik, M. R. J. Foreman, and G. Skarnemark, Proceedings of the ISEC 2008, International Solvent Extraction Conference, 1, 545, ISBN-894475-80-1, 2008, vol. 25
22. P. R. Danesi, Solvent Extraction Kinetics, in Principles and Practices of Solvent Extraction, ed. J. Rydberg, C. Musikas and G. R. Choppin, M. Dekker, Inc., New York, 1992, pp. 157-207
23. I. Benjamin Chem. Rev., 1996, 96, 1449-1475
24. K. B. Eisenthal Chem. Rev., 1996, 96, 1343-1360
25. G. Wipff, M. Lauterbach Supramol. Chem., 1995, 6, 187-207
26. R. Schurhammer, F. Berny, G. Wipff Phys. Chem. Chem. Phys., 2001, 3, 647-656
27. J. Szymanowski Solvent Extr. Ion Exch., 2000, 18, 729-751
28. K. Prochaska Adv. Colloid Interface Sci., 2002, 95, 51-72
29. H. Watarai TrAC, Trends Anal. Chem., 1993, 12, 313-318
30. N. Sieffert, G. Wipff Chem.-Eur. J., 2007, 13, 1978-1990
31. N. Sieffert, A. Chaumont, G. Wipff J. Phys. Chem. C, 2009, 113, 10610-10622
32. M. Baaden, R. Schurhammer, G. Wipff J. Phys. Chem. B, 2002, 106, 434-441
33. R. Diss, G. Wipff Phys. Chem. Chem. Phys., 2005, 7, 264-272
34. L. Troxler, G. Wipff Anal. Sci., 1998, 14, 43-56
35. P. Jost, N. Galand, R. Schurhammer, G. Wipff Phys. Chem. Chem. Phys., 2002, 4, 335-344
36. R. Schurhammer, G. Benay, and J. Desaphy, ACSEPT Report HYBAR 3, 2009, to be published
37. Z. Kolarik, U. Müllich, F. Gassener Solvent Extr. Ion Exch., 1999, 17, 1155-1170
38. A. Bhattacharyya, P. K. Mohapatra, T. G. A. Royb, S. K. Ghosh, V. K. Manchanda Hydrometallurgy, 2009, 18-24
39. D. A. Case, D. A. Pearlman, J. W. Caldwell, T. E. Cheatham III, J. Wang, W. S. Ross, C. L. Simmerling, T. A. Darden, K. M. Merz, R. V. Stanton, A. L. Cheng, J. J. Vincent, M. Crowley, V. Tsui, H. Gohlke, R. J. Radmer, Y. Duan, J. Pitera, I. Massova, G. L. Seibel, U. C. Singh, P. K. Weiner, and P. A. Kollman, AMBER7, University of California, San Francisco, 2002
40. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, M. L. Klein J. Chem. Phys., 1983, 79, 926.
41. S. E. DeBolt, P. A. Kollman J. Am. Chem. Soc., 1995, 117, 5316.
42. W. L. Jorgensen, J. M. Briggs, M. L. Contreras J. Phys. Chem., 1990, 94, 1683.
43. D. Michael, I. Benjamin J. Electroanal. Chem., 1998, 450, 335.
44. F. C. J. M. van Veggel, D. Reinhoudt Chem.-Eur. J., 1999, 5, 90-95
45. G. Chevrot, R. Schurhammer, G. Wipff Phys. Chem. Chem. Phys., 2007, 9, 1991-2003
46. 2: MD Simulations of Phase Demixing and Interfacial Systems, in Separations and Processes Using Supercritical Carbon Dioxide, ed. A. S. Gopalan, C. Wai and H. Jacobs, ACS Washington DC, 2003, pp. 223-244
47. T. A. Darden, D. M. York, L. G. Pedersen J. Chem. Phys., 1993, 98, 10089.
48. H. J. C. Berendsen, J.P. M. Postma, W. F. van Gunsteren, A. DiNola J. Chem. Phys., 1984, 81, 3684.
49. N. Muzet, E. Engler, G. Wipff J. Phys. Chem. B, 1998, 102, 10772-10788
50. R. L. Napoleon, P. B. Moore J. Phys. Chem. B, 2006, 110, 3666-3673
51. 4BTP analogues quite difficult
52. -1“in water” (PCM continuum model)
53. R. Schurhammer, G. Wipff New J. Chem., 2002, 26, 229-233
54. Presumably, BTPs should concentrate at the water/air interface, as a result of their hydrophobicity, but this is of little relevance for liquid-liquid extraction processes
55. A. Popov, T. Borisova J. Colloid Interface Sci., 2001, 236, 20-27
56. K. Osseo-Asare Sep. Sci. Technol., 1988, 23, 1269-1284
57. B. Abécassis, F. Testard, T. Zemb, L. Berthon, C. Madic Langmuir, 2003, 19, 6638-6644
58. Y. Meridiano, L. Berthon, X. Crozes, C. Sorel, P. Dannus, M. R. Antonio, R. Chiarizia, T. Zemb Solvent Extr. Ion Exch., 2009, 27, 607-637
59. Z. Kolarik, U. Müllich, F. Gassner Solvent Extr. Ion Exch., 1999, 17, 23-32
60. −s, it diffuses to the oil phase (“electrostatic synergistic effect”)
61. G. Chevrot, R. Schurhammer, G. Wipff Phys. Chem. Chem. Phys., 2007, 9, 5928.
62. T. H. Vu, PhD Thesis, University Louis Pasteur, Strasbourg, 2008