Aqueous solutions of europium(III) dipicolinate complexes: Estimates of water coordination based on molecular dynamics simulations and excited state decay rate constants

Journal of Physical Chemistry A

Volumn 104, Issue 47, 2000, Pages 11243-11247

  An, Yizhe ^a   Berry, Mary T ^a   Van Veggel, Frank C J M ^b  

^a University of South Dakota   (United States)

^b UNIVERSITY OF TWENTE   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; COMPUTER SIMULATION; COORDINATION REACTIONS; CRYSTALLINE MATERIALS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; RATE CONSTANTS;

DECAY RATE CONSTANTS; DIPICOLINATE COMPLEXES; ELECTRONIC ENERGY EXCHANGES;

EUROPIUM COMPOUNDS;

EID: 0034316781     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001534p     Document Type: Article

References (22)

1. Grenthe, I. J. Am. Chem. Soc. 1960, 83, 360.
2. Horrocks, W. DeW.; Sudnick, D. R. J. Am. Chem. Soc. 1979, 101, 334.
3. Kimura, T.; Choppin, G. R. J. Alloys Compounds 1994, 1994, 313.
4. Beeby, A.; Clarkson, I. M.; Dickins, R. S.; Faulkner, S.; Parker, D.; Royle, L.; de Sousa, A. S,; Williams, J. A. G.; Woods, M. J. Chem. Soc., Perkin Trans. 2 1999, 1999, 493.
5. May, P. S.; Richardson, F. S. Chem. Phys. Lett. 1991, 179, 277.
6. (a) Habenschuss, A.; Spedding, F. H. J. Phys. Chem. 1980, 73, 442.
7. (b) Yamaguchi, T.; Nomura, M.; Wakita, H.; Ohtaki, H. J. Chem. Phys. 1988, 89, 5153.
8. (a) Kowall, T.; Foglia, F.; Helm, L.; Merbach, A. E. J. Am. Chem. Soc. 1995, 117, 3790.
9. (b) Kowall, T.; Foglia, F.; Helm, L.; Merbach, A. E. J. Phys. Chem. 1995, 99, 13078.
10. (c) Chaussedent, C.; Monteil, A. J. Chem. Phys. 1996, 105, 6532.
11. (d) van Veggel, F. C. J. M.; Reinhoudt, D. N. Chem. Eur. J. 1999, 5, 90.
12. For example: (a) Breen, J. P.; Horrocks, W. De W. Inorg. Chem. 1983, 22, 536.
13. (b) Tanaka, F.; Yamashita, S. Inorg. Chem. 1984, 23, 2044.
14. (c) Lis, S.; Choppin, G. R. Mater. Chem. Phys. 1992, 31, 159.
15. Metcalf, D. H.; Snyder, S. W.; Demas, J. N.; Richardson, F. S. J. Am. Chem. Soc. 1990, 112, 469.
16. Horrocks, W. DeW.; Arkle, V. K.; Liottta, F. J.; Sudnick, D. R. J. Am. Chem. Soc. 1983, 105, 3455.
17. Quanta was bought from Molecular Simulations Inc., Burlington, MA.
18. (a) Brooks, B. R.; Bruccoleri, R. E.; Olafsen, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187.
19. (b) Momany, F. A.; Klimkowski, V. J.; Schäfer, L. J. Comput. Chem. 1990, 11, 654.
20. (c) Momany, F. A.; Rone, R.; Kunz, H.; Frey, R. F.; Newton, S. Q.; Schäfer, L. J. Mol. Struct. 1993, 286, 1.
21. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926.
22. Berendsen, H. J. C.; Postma, J. P. M.; Dinola, A.; van Gunsteren, W. F.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684.