Comparison of polyoxo and polyoxothiometallate rings: A theoretical approach

New Journal of Chemistry

Volumn 28, Issue 4, 2004, Pages 490-494

  Jamet, Hélène ^a   Borshch, Serguei A ^b  

^a UNIV GRENOBLE ALPES   (France)

^b UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

METAL; MOLYBDENUM; MOLYBDENUM COMPLEX; OXYGEN; SULFUR DERIVATIVE; WATER;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; ISOMER; PRIORITY JOURNAL; SYNTHESIS; THEORETICAL STUDY;

EID: 2342485025     PISSN: 11440546     EISSN: None     Source Type: Journal    
DOI: 10.1039/b308502c     Document Type: Article

References (46)

1. M. T. Pope, Heteropoly and Isopoly Oxometalates, Springer-Verlag, Berlin, 1983.
2. M. T. Pope and A. Müller, Angew. Chem., Int. Ed. Engl., 1991, 30, 34.
3. (a) Polyoxometalates: From Platonic Solids to Anti-Retroviral Activity, eds. M. T. Pope and A. Müller, Kluwer Academic Publishers, Dordrecht, 1994;
4. (b) Polyoxometalate Chemistry: From Topology via Self-Assembly to Applications, eds. M. T. Pope and A. Müller, Kluwer Academic Publishers, Dordrecht, 2001.
5. Special issue on polyoxometalates edited by C L. Hill: Chem. Rev., 1998, 98, 1.
6. P. Gouzerh and A. Proust, Chem. Rev., 1998, 98, 77.
7. F. Sécheresse, E. Cadot and C. Simonnet Jegat, in Metal Clusters in Chemistry, ed. P. Braunstein, L. A. Oro and P. R. Raithby, Wiley-VCH, Weinheim, 1999, vol. 1, pp.124-141.
8. (a) E. Cadot, B. Salignac, S. Halut and F. Sécheresse, Angew. Chem., Int. Ed. Engl., 1998, 37, 612;
9. (b) A. Dolbecq, B. Salignac, E. Cadot and F. Sécheresse, Chem. Commun., 1998, 2293;
10. (c) E. Cadot, A. Dolbecq, B. Salignac and F. Sécheresse, Chem.-Eur. J., 1999, 5, 2396;
11. (d) E. Cadot, B. Salignac, J. Marrot, A. Dolbecq and F. Sécheresse, Chem. Commun., 2000, 261.
12. (a) H. Taketa, S. Katsuki, K. Eguchi, T. Seiyama and N. Yamazoe, J. Phys. Chem., 1986, 90, 2959;
13. (b) T. L. Chen, J. Ji, S. X. Xiao, T. X. Cai and G. S. Yan, Int. J. Quantum Chem., 1992, 44, 1015;
14. (c) M. M. Rohmer and M. Bénard, J. Am. Chem. Soc., 1994, 116, 6959;
15. (d) M. M. Rohmer, J. Devémy, R. Wiest and M. Bénard, J. Am. Chem. Soc., 1996, 118, 13007;
16. (e) X. Lopez, J. M. Maestre, C. Bo and J. M. Poblet, J. Am. Chem. Soc., 2001, 123, 9571;
17. (f) J. M. Maestre, X. Lopez, C. Bo, J. M. Poblet and C Daul, Inorg. Chem., 2002, 41, 1883;
18. (g) A. J. Bridgeman and G. Cavigliasso, Inorg. Chem., 2002, 41, 3500;
19. (h) M. M. Rohmer, M. Benard, E. Cadot and F. Secheresse, in Polyoxometalate Chemistry: From Topology via Self-Assembfy to Applications, eds. M. T. Pope and A. Müller, Kluwer Academic Publishers, Dordrecht, 2001, p. 117;
20. (i) A. J. Bridgeman, J. Phys. Chem. A, 2002, 106, 12151.
21. (a) E. J. Baerends, D. E. Ellis and P. Ros, Chem. Phys., 1973, 2, 41;
22. (b) P. M. Boerrigter, G. te Velde and E. J. Baerends, Int. J. Quantum Chem., 1988, 33, 87;
23. (c) G. te Velde and E. J. Baerends, J. Comput. Phys., 1992, 99, 84.
24. S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys., 1980, 58, 1200.
25. (a) A. D. Becke, J. Chem. Phys., 1986, 84, 4524;
26. (b) A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
27. J. P. Perdew, Phys. Rev. B, 1986, 33, 8822.
28. (a) A. D. Becke, J. Chem. Phys., 1986, 84, 4524;
29. (b) A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
30. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogleand J. A. Pople, GAUSSIAN98 (Revision A.7), Gaussian, Inc., Pittsburgh, PA, 1998.
31. T. H. Dunning, Jr. and P. J. Hay, in Modern Theoretical Chemistry, ed. H. F. Schaefer III, Plenum, New York, 1976, vol. 3, p. 1.
32. P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299.
33. Encyclopedia of Inorganic Chemistry, ed. R. B. King, Wiley, Chichester, 1994, vol. 5, pp. 2304-2346.
34. (a) E. I. Solomon, F. Tuczek, D. E. Root and C. A. Brown, Chem. Rev., 1994, 94, 827;
35. (b) C. J. Cramer, B. A. Smith and W. B. Tolman, J. Am. Chem. Soc., 1996, 118, 11283;
36. (c) X. Y. Liu, A. A. Palacios, J. J. Novoa and S. Alvarez, Inorg. Chem., 1998, 37, 1202;
37. (d) A. Bérces, Inorg. Chem., 1997, 36, 4831;
38. (e) M. Flock and K. Pierloot, J. Phys. Chem. A, 1999, 103, 95;
39. (f) J. E. McGrady and R. Stranger, Inorg. Chem., 1999, 38, 550.
40. A. A. Palacios, G. Aullon, P. Alemany and S. Alvarez, Inorg. Chem., 2000, 39, 3166.
41. G. Parkin, Chem. Rev., 1993, 93, 887.
42. (a) L. Noodleman, J. Chem. Phys., 1981, 74, 5737;
43. (b) L. Noodleman and E. R. Davidson, Chem. Phys., 1986, 109, 131;
44. (c) L. Noodleman and D. A. Case, Adv. Inorg. Chem., 1992, 38, 423;
45. (d) L. Noodleman, C. Y. Pen, D. A. Case and J. M. Mouesca, Coord. Chem. Rev., 1995, 144, 199.
46. E. Ruiz, P. Alemany, S. Alvarez and J. Cano, J. Am. Chem. Soc., 1997, 119, 1297.