Experimental and molecular dynamics studies of dysprosium(III) salt solutions for a better representation of the microscopic features used within the binding mean spherical approximation theory

Journal of Physical Chemistry A

Volumn 110, Issue 41, 2006, Pages 11770-11779

  Ruas, Alexandre ^a   Guilbaud, Philippe ^a   Den Auwer, Christophe ^a   Moulin, Christophe ^b   Simonin, Jean Pierre ^c   Turq, Pierre ^c   Moisy, Philippe ^a  

^a CEA Marcoule   (France)

^b CEA SACLAY   (France)

^c SORBONNE UNIVERSITÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY SALT SOLUTIONS; OSMOTIC COEFFICIENTS; WERTHEIRN FORMALISMS;

APPROXIMATION THEORY; DYSPROSIUM; FLUORESCENCE; MOLECULAR DYNAMICS; SPECTROSCOPIC ANALYSIS; THERMODYNAMIC PROPERTIES;

SALTS;

EID: 33751327724     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0609636     Document Type: Article

References (96)

1. Mokili, B.; Poitrenaud, C. Solvent Extr. Ion Exch. 1996, 14, 617.
2. Katz, J. J.; Seaborg, G. T.; Morss, L. R. The Chemistry of the Actiniae Elements, 2nd ed.; Chapman and Hall Ltd.: London, 1986.
3. Spedding, F. H.; Weber, H. O.; Saeger, V. W.; Petheram, H. H.; Rard, J. A.; Habenschuss, A. J. Chem. Eng. Data 1976, 21, 341.
4. Rard, J. A.; Weber, H. O.; Spedding, F. H. J. Chem. Eng. Data 1977, 22, 187.
5. Rard, J. A.; Shiers, L. E.; Heiser, D. J.; Spedding, F. H. J. Chem. Eng. Data 1977, 22, 337.
6. Rard, J. A.; Miller, D. G.; Spedding, F. H. J. Chem. Eng. Data 1979, 24, 348.
7. Rard, J. A.; Spedding, F. H. J. Chem. Eng. Data 1981, 26, 391.
8. Rard, J. A.; Spedding, F. H. J. Chem. Eng. Data 1982, 27, 454.
9. Rard, J. A. J. Chem. Eng, Data 1987, 32, 92.
10. Rard, J. A. J. Chem. Eng. Data 1987, 32, 334.
11. Smith, R. M.; Martell, A. E. Critical stability constants; Plenum Press: New York and London, 1989; Vol. 6, 2nd suppl.
12. Brönsted, J. N. J. Am. Chem. Soc. 1922, 44, 877.
13. Scatchard, G. Concentrated solutions of strong electrolytes; Harvard University Press: Cambridge, MA, 1936; Vol. 19, p 309.
14. Guggenheim, E. A. Thermodynamics; North-Holland Publishing Co.: Amsterdam, 1967.
15. Pitzer, K. S. J. Phys. Chem. 1973, 77, 268.
16. Simonin, J. P.; Blum, L.; Turq, P. J. Phys. Chem. 1996, 100, 7704.
17. Ruas, A.; Moisy, Ph.; Simonin, J. P.; Bernard, O.; Dufrêche, J. F.; Turq, P. J. Phys. Chem. B 2005, 109, 5243.
18. Ruas, A.; Simonin, J. P.; Turq, P.; Moisy, P. J. Phys. Chem. B 2005, 109, 23043.
19. Yokoyama, H.; Johansson, G. Acta Chem. Scand. 1990, 44, 567.
20. Nelson, D. L.; Irish, D. E. J. Chem. Soc., Faraday Trans. 1 1973, 69, 156.
21. Khopkar, P. K.; Narayanankutty, P. J. Inorg. Nucl. Chem. 1971, 33, 495.
22. Nelson, D. I.; Irish, D. E. J. Chem. Phys. 1971, 54, 4479.
23. Choppin, G. R.; Strazik, W. F. Inorg. Chem. 1965, 4, 1250.
24. Bansal, B. M. L.; Paul, S. K.; Sharma, H. D. J. Inorg. Nucl. Chem. 1964, 26, 993.
25. Choppin, G. R.; Unrein, P. J. J. Inorg. Nucl. Chem. 1963, 25, 387.
26. Rizkalla, E. N.; Choppin, G. R. Lanthanides and actinides hydration and hydrolysis. Handbook on the Physics and Chemistry of Rare Earths; Elsevier Science, North-Holland: Amsterdam, 1994; Vol. 18, p 529.
27. Rogers, R. D. Lanthanide Actinide Res. 1987, 2, 41.
28. Spedding, F. H.; Saeger, V. W.; Gray, K. A.; Boneau, P. K.; Brown, M. A.; DeKock, C. W.; Baker, J. L.; Shiers, L. E.; Weber, H. O.; Habenschuss, A. J. Chem. Eng. Data 1975, 20, 72.
29. Ravel, B.; Newville, M. J. Synchrotron Radiat. 2005, 12, 537.
30. Rehr, J. J.; Albers, R. C. Rev. Mod. Phys. 2000, 72, 621.
31. (a) Case, D. A.; et al. AMBER 6; University of California: San Francisco, 1999.
32. (b) Cheatham, T. E., III; Cieplak, P.; Kollman, P. A. J. Biomol. Struct. Dyn. 1999, 16, 845.
33. Duke, R. E.; Pedersen, L. G. PMEMD 3.1; University of North Carolina: Chapel Hill, 2003.
34. (a) Caldwell, J. W.; Kollman, P. A. J. Phys. Chem. 1995, 99, 6208.
35. (b) Meng, E. C.; Kollman, P. A. J. Phys. Chem. 1996, 100, 11460.
36. Frisch, M. J.; et al. Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, 1998.
37. (a) Dolg, M.; Stoll, H.; Savin, A.; Preuss, H. Theor. Chim. Acta 1989, 75, 173.
38. (b) Küchle, W.; Dolg, M.; Stoll, H.; Preuss, H. J. Chem. Phys. 1994, 100, 7535.
39. Habenschuss, A.; Spedding, F. H. J. Chem. Phys. 1979, 70, 2797.
40. Yamagushi, T.; Nomura, N.; Wakita, H.; Ohtaki, H. J. Chem. Phys. 1988, 89, 5153.
41. Helm, L.; Merbach, A. E. Eur. J. Solid State Inorg. Chem. 1991, 28, 245.
42. Annis, B. K.; Hahn, R. L.; Narten, A. H. J. Chem. Phys. 1985, 82, 2086.
43. Yaita, T.; Narita, H.; Suzuki, S.; Tachimori, S.; Motohashi, H.; Shiwaku, H. J. Radioanal. Nucl. Chem. 1999, 239, 371.
44. Smith, D. E.; Dang, L. X. J. Chem. Phys. 1994, 100, 3757.
45. (a) Sanner, M. F.; Olson, A. J.; Spehner, J. C. ACM 11th Symposium on Computational Geometry, Vancouver, BC, Canada, June 5-7, 1995; Association for Computing Machinery: New York, 1995; p C6.
46. (b) Sanner, M. F.; Olson, A. J.; Spehner, J. C. Biopolymers 1996, 38, 305.
47. Engler, E.; Wipff, G. MDS, DRAW. In Crystallography of Supramolecular Compounds; Tsoucaris, G., Ed.; Kluwer: Dordrecht, The Netherlands, 1996; p 471.
48. Humphrey, W.; Dalke, A.; Schulten, K. J. Mol. Graphics 1996, 14, 33.
49. (a) Waisman, E.; Lebowitz, J. L. J. Chem. Phys. 1970, 52, 4307.
50. (b) Blum, L. Mol. Phys. 1975, 30, 1529.
51. (c) Blum, L.; Høye, J. S. J. Phys. Chem. 1977, 81, 1311.
52. (d) Hiroike, K. Mol. Phys. 1977, 33, 1195.
53. Bernard, O.; Blum, L. J. Chem. Phys. 1996, 104, 4746.
54. (a) Kalyuzhnyi, Yu V.; Holovko, M. F.; Haymet, A. D. J. J. Chem. Phys. 1991, 95, 9151.
55. (b) Kalyuzhnyi, Yu V.; Vlachy, V. Chem. Phys. Lett. 1993, 215, 518.
56. (c) Kalyuzhnyi, Yu V.; Holovko, M. F. Mol. Phys. 1993, 80, 1165.
57. (d) Holovko, M. F.; Kalyuzhnyi, Yu V. Mol. Phys. 1991, 73, 1145.
58. (e) Blum, L.; Holovko, M. F.; Protsykevytch, I. A. J. Stat. Phys. 1996, 84, 191.
59. Kunz, W.; M'Halla, J.; Ferchiou, S. J. Phys.: Condens. Matter 1991, 3, 7907.
60. Simonin, J. P. J. Phys. Chem. B 1997, 101, 4313.
61. Simonin, J. P.; Bernard, O.; Blum, L. J. Phys. Chem. B 1998, 102, 4411.
62. Ruas, A.; Bernard, O.; Caniffi, B.; Simonin, J. P.; Turq, P.; Blum, L.; Moisy, P. J. Phys. Chem. B 2006, 110, 3435.
63. Bernard, O.; Blum, L. J. Chem. Phys. 2000, 112, 7227.
64. Lee, L. L. J. Mol Liq. 2000, 87, 129.
65. Spedding, F. H.; Shiers, L. E.; Brown, M. A.; Derer, J. L.; Swanson, D. L.; Habenschuss, A. J. Chem. Eng. Data 1975, 20, 81.
66. Spedding, F. H.; Shiers, L. E.; Brown, M. A.; Baker, J. L.; Guitierrez, L.; McDowell, L. S.; Habenschuss, A. J. Phys. Chem. 1975, 79, 1087.
67. Libus, Z.; Sadowska, T.; Trzaskowski, J. J. Chem. Thermodyn. 1979, 11, 1151.
68. Silber, H. B.; Bakhshandehfar, R.; Contreras, L. A.; Gaizer, F.; Gonsalves, M.; Ismail, S. Inorg. Chem. 1990, 29, 4473.
69. Silber, H. B. Inorg. Chim. Acta 1987, 139, 33.
70. Johansson, G.; Wakita, H. Inorg. Chem. 1985, 24, 3047.
71. Breen, P. J.; Horrocks, W. D., Jr. Inorg. Chem. 1983, 22, 536.
72. Bünzli J. C. G., Yersin J. R. Inorg. Chem. 1979, 18, 605.
73. Cossy, C.; Barnes, A. C.; Enderby, J. E.; Merbach, A. E. J. Chem. Phys. 1989, 90, 3254.
74. Yamagushi, T.; Tanaka, S.; Wakita, H.; Misawa, M.; Okada, I.; Soper, A. K.; Howells, W. S. Z. Naturforsch. 1991, 46a, 84.
75. Johansson, G.; Yokoyama, H. Inorg. Chem. 1990, 29, 2460.
76. David, F. H.; Fourest, B. New J. Chem. 1997, 21, 167.
77. Luo, Y. R.; Byrne, R. H. J. Solution Chem. 2001, 30, 837.
78. Bonal, C.; Morel, J. P.; Morel-Desrosiers, N. J. Chem. Soc., Faraday Trans. 1998, 94, 1431.
79. Chen, Z.; Detellier, C. J. Solution Chem. 1992, 21, 941.
80. Silber, H. B.; Strozier, M. S. Inorg. Chim. Acta 1987, 128, 267.
81. Mironov, V. E.; Avramenko, N. I.; Koperin, A. A.; Blokin, V. V.; Eike, M. Yu; Isayev, I. D. Koord. Khim. 1982, 8, 636.
82. Cheung, A. S. C.; Irish, D. E. J. Inorg. Nucl. Chem. 1981, 43, 1383.
83. Majdan, M.; Sadowski, P. Monatsch. Chem. 1992, 123, 987.
84. Wood, S. A. Chem. Geol. 1990, 82, 159.
85. Millero, F. J. Geochim. Cosmochim. Acta 1992, 56, 3123.
86. Haas, J. R.; Shock, E. L.; Sassani, D. C. Geochim. Cosmochim. Acta 1995, 59, 4329.
87. (a) Binnemans, K.; Görller-Walrand, C. Chem. Phys. Lett. 1995, 235, 163.
88. (b) Carnall, W. T.; Goodman, G. L.; Rajnak, K. C.; Rana, R. S. J. Chem. Phys. 1989, 90, 3443.
89. (c) Peijzel, P. S.; Meijerink, A.; Wegh, R. T.; Reid, M. F.; Burdick, G. W. J. Solid State Chem. 2005, 178, 448.
90. (a) Freed, S. Rev. Mod. Phys. 1942, 14, 105.
91. (b) Moulin, C.; Steiner, V.; Plancque, G.; Amekraz, B.; Ansoborlo, E. Appl. Spectrosc. 2003, 57, 1151.
92. (c) Colette, S.; Amekraz, B.; Madic, C.; Berthon, L.; Cote, G.; Moulin, C. Inorg. Chem. 2004, 43, 6745.
93. Kimura, T.; Kato, Y. J. Alloys Compd. 1995, 225, 284.
94. Enderby, J. E.; Cummings, S.; Herdman, G. J.; Neilson, G. W.; Salmon, P. S.; Skipper, N. J. Phys. Chem. 1987, 91, 5851.
95. Lis, S.; Choppin, G. R. Mater. Chem. Phys. 1992, 31, 159.
96. Clavagućra-Sarrio, C.; Brenner, V.; Hoyau, S.; Marsden, C. J.; Millie, P.; Dognon, J. P. J. Phys. Chem. B 2003, 107, 3051.