Thiophosphoryl Complexes of Trivalent Lanthanide Cations: Importance of Counterions and Stoichiometry for Binding Energies. A Theoretical Study

Journal of Physical Chemistry A

Volumn 103, Issue 30, 1999, Pages 6023-6029

  Boehme, Christian ^a   Wipff, Georges ^a  

^a UNIVERSITÉ LOUIS PASTEUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000654741     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp990871z     Document Type: Article

References (52)

1. Cecille, L.; Casarci, M.; Pietrelli, L. New Separation Chemistry Techniques for Radioctive Waste and other Specific Applications.; Commission of the European Communities; Elsevier Applied Science: London, 1991.
2. Rozen, A. M. J. Radioanal. Nucl. Chem., Articles 1990, 143, 337- 355.
3. Rozen, A. M.; Krupnov, B. V. Russ. Chem. Rev. 1996, 65, 973- 1000 and references cited therein.
4. Nash, K. L. Solv. Extract. Ion Exch. 1993, 11, 729-768.
5. Choppin, G. R.; Nash, K. L. Radiochim. Acta 1995, 70/71, 225- 236.
6. Boerrigter, H.; Verboom, W.; Reinhoudt, D. N. J. Org. Chem. 1997, 62, 7148-7155.
7. Boerrigter, H.; Verboom, W.; Reinhoudt, D. N. Liebigs Ann./Recueil 1997, 2247-2254.
8. Arnaud-Neu, F.; Böhmer, V.; Dozol, J.-F.; Grüttner, C.; Jakobi, R. A.; Kraft, D.; Mauprivez, O.; Rouquette, H.; Schwing-Weil, M.-J.; Simon, N.; Vogt, W. J. Chem. Soc., Perkin 2 1996, 1175-1182.
9. Delmau, L. H.; Simon, N.; Schwing-Weill, M.-J.; Arnaud-Neu, F.; Dozol, J.-F.; Eymard, S.; Tournois, B.; Böhmer, V.; Grüttner, C.; Musigmann, C.; Tunayar, A. J. Chem. Soc., Chem. Commun. 1998, 1627-1628.
10. Lehn, J. M. Struct. Bonding 1973, 161, 1-69.
11. Lehn, J.-M. Supramolecular Chemistry. Concepts and Perspectives; VCH: Weinheim, 1995.
12. Choppin, G. R. In Principles of Solvent Extraction; 1992, Rydberg, J., Musikas, C., Choppin, G. R., Eds.; M. Dekker: New York, 1992; pp 71-100.
13. Marcus, Y. Ion Salvation; Wiley: Chichester, 1985.
14. Martell, A. E.; Hancock, R. H. Metal Complexes in Aqueous Solutions; Plenum Press: New York, 1996.
15. Hancock, R. D.; Martell, A. E. Adv. Inorg. Chem. 1995, 42, 89- 146.
16. Hancock, R. D.; Martell, A. E. Chem. Rev. 1989, 89, 1875-1914.
17. Kebarle, P. Ann. Rev. Phys. Chem. 1977, 28, 445-476.
18. Dearden, D. E. In Physical Supramolecular Chemistry; Echegoyen, L., Kaifer, A., Eds.; Kluwer Academic Publishers: Dordrecht, 1996; pp 229-247.
19. Chu, I.-H.; Zhang, H.; Dearden, D. V., J. Am. Chem. Soc. 1993, 115, 5736-5744.
20. Badertscher, M.; Welti, M.; Portmann, P.; Pretsch, E. Topics Curr. Chem. 1986, 136, 17 and references cited therein.
21. Craw, J. S.; Vincent, M. A.; Hillier, I. H.; Wallwork, A. L. J. Phys. Chem. 1995, 99, 10181-10185.
22. Cosentino, U.; Moro, G.; Pitea, D.; Calabi, L.; Maiocchi, A. J. Mol. Struct. (THEOCHEM) 1997, 392, 75-85.
23. Hengrasmee, S.; Probst, M. M. Z. Naturforsch. 1991, 46A, 117- 121.
24. Kowall, T.; Foglia, F.; Helm, L.; Merbach, A. E. J. Am. Chem. Soc. 1995, 117, 3790-3799.
25. Ionova, G.; Krupa, J. C; Gérard, I.; Guillaumont, R. New J. Chem. 1995, 19, 677-689.
26. Adamo, C.; Maldivi, P. Chem. Phys. Lett. 1997, 268, 61-68.
27. Adamo, C.; Maldivi, P. J. Phys. Chem. A 1998, 102, 6812-6820.
28. Dolg, M.; Stoll, H.; Preuss, H. J. Mol. Struct. (THEOCHEM) 1991, 235, 67-79.
29. Sabirov, Z. M.; Bagaturyants, A. A. Russian Chem. Rev. 1991, 60, 1059-1070.
30. Cundari, T. R.; Sommerer, S. O.; Strohecker, L. A.; Tippett, L. J. Chem. Phys. 1995, 103, 7058-7063.
31. Troxler, L.; Dedieu, A.; Hutschka, F.; Wipff, G. J. Mol. Struct (THEOCHEM) 1998, 431, 151-163.
32. Hutschka, F.; Troxler, L.; Dedieu, A.; Wipff, G. J. Phys. Chem. A 1998, 102, 3773-3781.
33. Cosentino, U.; Moro, G.; Pitea, D.; Villa, A.; Fantucci, P. C.; Maiocchi, A.; Uggerin, F. J. Phys. Chem. A 1998, 102, 4606-4614.
34. Zhu, Y.; Jiao, R. Radiochim. Acta 1995, 69, 191-193.
35. Zhu, Y. Radiochim. Acta 1995, 68, 95-98.
36. Hill, C.; Madic, C.; Baron, P.; Ozawa, M.; Tanaka, Y. J. Alloys Compounds 1998, 271-273, 159-162.
37. Desreux, J. F.; Böhmer, V. Private communication.
38. Drago, R. S.; Vogel, G. C.; Needham, T. E. J. Am. Chem. Soc. 1971, 93, 6014-6026.
39. Pearson, R. G.; Songstad, J. J. Am. Chem. Soc. 1967, 89, 1827- 1836.
40. Dunning, T. H.; Hay, P. J. In Modern Theoretical Chemistry; Plenum: New York, 1976; pp 1-28.
41. Dolg, M.; Stoll, H.; Savin, A.; Preuss, H. Theoret. Chim. Acta 1989, 75, 173.
42. Dolg, M.; Stoll, H.; Savin, A.; Preuss, H. Theoret. Chim. Acta 1993, 85, 441.
43. Ehlers, A. W.; Böhme, M.; Dapprich, S.; Gobbi, A.; Höllwarth, A.; Jonas, V.; Köhler, K. F.; Stegmann, R.; Veldkamp, A.; Frenking, G. Chem. Phys. Lett. 1993, 208, 111.
44. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Reploge, E. S.; Gomperts, R.; Martin, F. D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzales, C.; Pople, J. A. Gaussian 94, Revision B.2.; Gaussian, Inc.: Pittsburgh, PA, 1995.
45. Peng, C.; Ayala, P. Y.; Schlegel, H. B.; Frisch, M. J., J. Comput. Chem. 1996, 17, 49-56.
46. Becke, A. D. Phys. Rev. A. 1988, 38, 3098.
47. Perdew, J. P. Phys. Rev. B 1986, 33, 8822-8824.
48. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553-566.
49. Jiang, S.; Dasgupta, S.; Blanco, M.; Frazier, R.; Yamaguchi, E. S.; Tang, Y.; Goddard, W. A. J. Phys. Chem. 1996, 100, 15760-15769.
50. Teichmann, H.; Hilgetag, G. Angew. Chem. Int. Ed. 1967, 6, 1013- 1126.
51. Schurhammer, R.; Wipff, G. Unpublished data.
52. Berny, F.; Muzet, N.; Troxler, L.; Dedieu, A.; Wipff, G. Inorg. Chem. 1999, 58, 1244-1252.