Molecular Mechanics Calculations and the Metal Ion Selective Extraction of Lanthanoids

Inorganic Chemistry

Volumn 37, Issue 13, 1998, Pages 3310-3315

  Comba, Peter ^c   Gloe, Karsten ^b   Inoue, Katsutoshi ^a   Krüger, Torsten ^b   Stephan, Holger ^b   Yoshizuka, Kazuharu ^a  

^a SAGA UNIVERSITY   (Japan)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^c UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002670733     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic970673r     Document Type: Article

References (66)

1. Burkert, U.; Allinger, N. L. Molecular Mechanics; ACS Monograph 177; American Chemical Society: Washington, DC, 1982.
2. Comba, P.; Hambley, T. W. Molecular Modeling of Inorganic Compounds: VCH: Weinheim, 1995.
3. (a) Comba, P. Commun. Inorg. Chem. 1994, 16, 133.
4. (b) Comba, P. In Fundamental Principles of Molecular Modeling; Gans, W., Amann, A., Boeyens, J. C. A., Eds.; Plenum Press: New York, 1996; p 167.
5. (c) Comba, P.; Sickmüller, A. Angew. Chem. 1997, 109, 2089.
6. (d) Bernhardt, P. V.; Comba, P.; Gyr, T.; Várnagy, K. Inorg. Chem. 1992, 31, 1220.
7. (e) Hay, B. P.; Rustad, J. R.; Hostetler, C. J. J. Am. Chem. Soc. 1993, 115, 11158.
8. (f) Hay, B. P.; Rustad, J. R. J. Am. Chem. Soc. 1994. 116, 6316.
9. (g) Hay, B. P.; Zhang, D.; Rustad, J. R. Inorg. Chem. 1996, 35, 2650.
10. (h) Comba, P.; Nuber, B.; Ramlow, A. J. Chem. Soc., Dalton Trans. 1997, 347.
11. (i) Comba, P.; Fath, A.; Kühner, A.; Nuber, B. J. Chem. Soc., Dalton Trans. 1997, 1889.
12. (j) Bernhardt, P. V.; Comba, P.; Hambley, T. W.; Massoud, S. S.; Stebler, S. Inorg. Chem. 1992, 31, 2644.
13. (k) Bernhardt, P. V.; Comba, P. Inorg. Chem. 1993, 32, 2798.
14. (l) Comba, P. Inorg. Chem. 1994, 33, 4577.
15. (m) Comba, P.; Hambley, T. W.; Hitchman, M. A.; Stratemeier, H. Inorg. Chem. 1995, 34, 3903.
16. (n) Comba, P., Sickmüller, A. Inorg. Chem. 1997, 36, 4500.
17. (a) Hancock, R. D. Prog. Inorg. Chem. 1989, 37, 187.
18. (b) Comba, P. Coord. Chem. Rev. 1993, 123, 1.
19. (c) Hay, B. P. Coord. Chem. Rev. 1993, 126, 177.
20. Reichert, D. E.; Hancock, R. D.; Welch, M. J. Inorg. Chem. 1996, 35, 7013.
21. Cundari, T. R.; Moody, E. W.; Sommerer, S. O. Inorg. Chem. 1995, 34, 5989.
22. Hay, B. P. Inorg. Chem. 1991, 30, 2876.
23. Coleman, C. F.; Roddy, J. W. Solvent Extr. Rev. 1971, 1, 63.
24. Inoue, K.; Nakashio, F. Kagaku Kogaku 1982, 46, 164.
25. Yoshizuka, K.; Kosaka, H.; Shinohara, T.; Ohto, K.; Inoue, K. Bull. Chem. Soc. Jpn. 1996, 69, 589.
26. Comba, P.; Hambley, T. W.; Lauer, G.; Okon, N. MOMEC: A Molecular Modeling Package for Inorganic Compounds; Lauer & Okon: Heidelberg, Germany, 1995. E-mail: CVS-HD@T-ONLINE.DE.
27. (a) Bernhardt, P. V.; Comba, P. Inorg. Chem. 1992, 31, 2638.
28. (b) Comba, P.; Hambley, T. W., Ströhle, M. Helv. Chim. Acta 1995, 78, 2042.
29. (c) Bol, J. E.; Buning, C.; Comba, P.; Reedijk, J.; Ströhle, M., J. Comput. Chem. 1998, 19, 512.
30. HyperChem Release 4.5, Serial No. 545-10001393, Hypercube, Inc.: Waterloo, Ontario, Canada 1995.
31. Stewart, J. J. P. MOPAC93: A Molecular Orbital Package: JCPE P081: Stewart Computational Chemistry: Colorado Springs, CO, 1993.
32. Peppard, D. F.; Mason, G. W.; Lewey, S. J. Inorg. Nucl. Chem. 1969, 31. 2271.
33. Peppard, D. F.; Bloomquist, C. A. A.; Horwitz, E. P.; Lewey. S.; Mason, G. W. J. Inorg. Nucl. Chem. 1970, 32, 339.
34. Hubbard, C. R.; Quicksall, C. O.; Jacobson, R. A. Acta Crystallogr. 1974, B30, 2613.
35. Albertsson, J.; Elding, I. Acta Crystallogr. 1977, B33, 1460.
36. Harrowfield, J. M.; Kepert, D. L.; Patrick, J. M.; White, A. H. Aust. J. Chem. 1983, 36, 483.
37. Pavia Santos, C. O.; Castellano, E. E.; Machado, L. C.; Vincentini, G. Inorg. Chim. Acta 1985, 110, 83.
38. Chatterjee, A.; Maslen, E. N.; Watson, K. J. Acta Crystallogr. 1988, B44, 381 and 386.
39. Helmholz, L. J. Am. Chem. Soc. 1939, 61, 1544.
40. Sikka, S. K. Acta Crystallogr. 1969, A25, 621.
41. Gerkin, R. E.; Repparte, W. J. Acta Crystallogr. 1984, C40, 781.
42. (a) Laurenczy, G.; Merbach, A. E. Helv. Chim. Acta 1988, 71, 1971.
43. (b) Kowall, T.; Foglia, F.; Helm, L.; Merbach, A. E. J. Phys. Chem. 1995, 99, 13078.
44. (c) Kowall, T.; Foglia, F.; Helm, L.; Merbach, A. E. J. Am. Chem. Soc. 1995, 117, 3790.
45. (d) Kowall, T.; Foglia, F.; Helm, L.; Merbach, A. E. Chem. Eur. J. 1996, 2, 285.
46. (a) Micskei, K.; Helm, L.; Brücher, E.; Merbach, A. E. Inorg. Chem. 1993, 32, 3844.
47. (b) Powell, D. H.; Dhubhghaill, O. M. N.; Pubanz, D.; Helm, L.; Lebedev, Y. S.; Schlaepfer, W.; Merbach, A. E. J. Am. Chem. Soc. 1996, 118, 9333.
48. (a) Geier, G.; Karlen, U. Helv. Chim. Acta 1971, 54, 1335.
49. (b) Geier, G.; Joergensen, C. K. Chem. Phys. Lett. 1971, 9, 263 .
50. Keppert, D. L. Inorganic Chemistry Concepts; Springer, Berlin, 1980; Vol. 6.
51. Kulpe, S.; Seidel, I.; Szulzewsky, K.; Kretschmer, G. Acta Ctystallogr. 1983, B38, 2813.
52. Herrmann, E.; Hoang, B. N.; Dreyer, R. Z. Chem. 1979, 19, 187.
53. Chaozhou, N.; Changtao, Q. Inorg. Chim. Acta 1985, 110, L7.
54. Kapoor, P. N.; Saraswati, R.; McMahon, I. J. Inorg. Chim. Acta 1985, 110, 63.
55. Kurthikeyan, S.; Paine, R. T.; Ryan, R. R. Inorg. Chim. Acta 1988, 144, 135.
56. McCabe, D. J.; Duesler, E. N.; Paine, R. T. Inorg. Chim. Acta 1988, 147, 265.
57. Karthikeyan, S.; Ryan, R. R.; Paine, R. T. Inrog. Chem. 1989, 28, 2783.
58. Conary, G. S.; McCabe, D. J.; Meline, R. L.; Duesler, E. N.; Paine, R. T. Inorg. Chim. Acta 1993, 203. 11.
59. Platt, A. W. G.; Simpson, D.; Fawcett, J.; Russell, D. R. Inrog. Chim. Acta 1994, 223, 43.
60. Bligh, S. W. A.; Choi, N.; Hudson, H. R.; McGrath, C. M.; McPartlin, M. J. Chem. Soc. Dalton Trans. 1994, 2335.
61. Harrowfild, J. M.; Mocerino, M.; Peachey, B. J.; Skelton, B. W.; White, A. H. J. Chem. Soc., Dalton Trans. 1996, 1687.
62. Gan, X.; Duesler, E. N.; Paine, R. T.; Smith, P. H. Inrog. Chim. Acta 1996, 247, 29.
63. Comba, P.; Sickmüller, A. Inrog. Chem. 1997, 36, 4500.
64. (a) Hancock, R. D.; McDougall, G. J.; Marsicano, F. Inrog. Chem. 1979, 18, 2847.
65. (b) Hancock, R. D.; Martell, A. E. Chem. Rev. 1989, 89, 1875.
66. Shannon, R. D. Acta Crystallogr. 1976, A32, 751.