π-Donor/acceptor effect on Lindqvist type polyoxomolibdates because of various multiple-bonded nitrogenous ligands

Journal of Physical Chemistry A

Volumn 111, Issue 28, 2007, Pages 6563-6567

  Carey, Desmond Mac Leod ^a   Muñoz Castro, Alvaro ^a   Bustos, Carlos J ^b   Manríquez, Juan M ^a   Arratia Pérez, Ramiro ^c  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^b UNIVERSIDAD AUSTRAL DE CHILE   (Chile)

^c UNIVERSIDAD ANDRÉS BELLO   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; LIGANDS; NITROGEN COMPOUNDS;

GEOMETRICAL PARAMETERS; MULTIPLE BONDED NITROGENOUS LIGANDS; POLYOXOMOLIBDATES; TERMINAL OXO LIGANDS;

MOLYBDENUM COMPOUNDS;

LIGAND; MOLYBDENUM; NITROGEN; ORGANOMETALLIC COMPOUND; OXYGEN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTROCHEMISTRY; ENERGY TRANSFER; THERMODYNAMICS;

ELECTROCHEMISTRY; ENERGY TRANSFER; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MOLYBDENUM; NITROGEN; ORGANOMETALLIC COMPOUNDS; OXYGEN; THERMODYNAMICS;

EID: 34547501006     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0727594     Document Type: Article

References (61)

1. Pope, M. T. Heteropolv and Isopoly Oxometalates; Springer: Berlin, 1983.
2. Baker, L. C. W.; Glick, D. C. Chem. Rev. 1998, 98, 3.
3. Pope, M. T.; Muller, A. Angew. Chem., Int. Ed. Engl. 1991, 30, 34.
4. Jeannin, Y. P. Chem. Rev. 1998, 98, 51.
5. Katsoulis, D. E. Chem. Rev. 1998, 98, 359.
6. Coronado, E.; Gómez-García, C. J. Chem. Rev. 1998, 98, 273.
7. Sadakane, M.; Steckhan, E. Chem. Rev. 1998, 98, 219.
8. Weinstock, I. A. Chem. Rev. 1998, 98, 113.
9. Kozhevnikov, I. V. Chem. Rev. 1998, 98, 171.
10. Müller, A.; Peters, F.; Pope, M. T.; Gatteschi, D. Chem. Rev. 1998, 98, 239.
11. Rhule, J. T.; Hill, C. L.; Judd, D. A. Chem. Rev. 1998, 98, 327.
12. Hasenknopf, B. Front. Biosci. 2005, 10, 275.
13. Mizuno, N.; Misono, M. Chem. Rev. 1998, 98, 199.
14. Proust, A.; Thouvenot, R.; Robert, F.; Gouzerh, P. Inorg. Chem. 1993, 32, 5299.
15. Proust, A.; Thouvenot, R.; Roh, S. G.; Yoo, J. K.; Gouzerh, P. Inorg. Chem. 1995, 34, 4106.
16. Gouzerh, P.; Jeannin, Y.; Proust, A.; Robert, F. Angew. Chem., Int. Ed. Engl. 1989, 28, 1363;
17. 1989, 101, 1377.
18. Proust, A.; Gouzerh, P.; Robert, F. Inorg. Chem. 1993, 32, 5291.
19. Proust, A.; Fournier, M.; Thouvenot, R.; Gouzerh, P. Inorg. Chim. Acta 1994, 215, 61.
20. Proust, A.; Thouvenot, R.; Chaussade, M.; Robert, F.; Gouzerh, P. Inorg. Chim. Acta 1994, 224, 81.
21. Strong, J. B.; Yap, G. P. A.; Ostrander, R.; Liable-Sands, L.; Rheingold, A. L.; Thouvenot, R.; Gouzerh, P.; Maatta, E. A. J. Am. Chem. Soc. 2000, 122, 639.
22. Bustos, C.; Hasenknopf, B.; Thouvenot, R.; Vaissermann, J.; Proust, A.; Gouzerh, P. Eur. J. Inorg. Chem. 2003, 2757.
23. Kang, H.; Zubieta, J. J. Chem. Soc., Chem. Commun. 1988, 1192.
24. Kwen, H.; Tomlinson, S.; Maatta, E. A.; Dablemont, C.; Thouvenot, R.; Proust, A.; Gouzerh, P. Chem. Commun. 2002, 2970.
25. Li, J. J. Cluster Sci. 2002, 13, 137.
26. Bridgeman, A. J.; Cavigliasso, G. J. Phys. Chem. A 2003, 107, 4568.
27. Bridgeman, A. J.; Cavigliasso, G. Inorg. Chem. 2002, 47, 1761.
28. Yang, X.; Waters, T.; Wang, X. B.; O'Hair, R. A. J.; Wedd, A. G.; Li, J.; Dixon, D. A.; Wang, L. S. J. Phys. Chem. A 2004, 108, 10089.
29. Rohmer, R. M.; Bénard, M.; Blaudeau, J. P.; Maestre, J. M.; Poblet, J. P. Coord. Chem. Rev. 1998, 178-180, 1019.
30. Masure, D.; Chaquin, P.; Louis, C.; Che, M.; Fournier, M. J. Catal. 1989, 119, 415.
31. Calhorda, M. J. J. Organomet. Chem. 1994, 475, 149.
32. Dolbecq, A.; Guirauden, A.; Fourmigué, M.; Boubekeur, K.; Batail, P.; Rohmer, M. M.; Bénard, M.; Coulon, C.; Sallé, M.; Blanchard, P. J. Chem. Soc., Dalton Trans. 1999, 1241.
33. Bridgeman, A. J.; Cavigliasso. G. J. J. Chem. Soc., Dalton Trans. 2002, 2244.
34. Bridgeman, A. J.; Cavigliasso, G. J. Inorg. Chem. 2002, 41, 3500.
35. Bridgeman, A. J.; Cavigliasso. G. J. J. Phys. Chem. A 2002, 106, 6114.
36. Bridgeman. A. J.; Cavigliasso, G. Polyhedron 2002, 21, 2201.
37. Kempf, J. Y.; Rohmer, M. M.; Poblet, J. M.; Bo, C.; Bénard, M. J. Am. Chem. Soc. 1992, 114, 1136.
38. Yan, L.; Yang, G.; Guan, W.; Su, Z.; Wang, R. J. Phys. Chem. B 2005, 109, 22332.
39. Yan, L. K.; Su, Z.-M.; Guan, W.; Zhang, M. J. Phys. Chem. B 2004, 108, 17337.
40. ADF2005.01: te Velde, G.; Baerends, E. J. J. Comput. Phys. 1992, 99, 84.
41. Kohn, W.; Sham, L. J. Phys. Rev. 1965, 140, A1133.
42. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1990, 58, 1200.
43. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
44. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
45. Snijder, J. G.; Baerends, E. J.; Vernooijs, P. At. Nucl. Data Tables 1982, 26, 483.
46. Baerend, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41.
47. Bridgeman, A. J.; Cavigliasso, G. Polyhedron 2001, 20, 2269.
48. Bridgeman, A. J.; Cavigliasso, G. J. Phys. Chem. A 2001, 105, 7111.
49. Bridgeman, A. J.; Cavigliasso, G. J. Phys. Chem. A 2003, 107, 4568.
50. Allcock, H. R.; Bissell, E. C.; Shawl, E. T. Inorg. Chem. 1973, 12, 2963.
51. Allcock, H. R.; Bissell, E. C.; Shawl, E. T. J. Am. Chem. Soc. 1972, 94, 8603.
52. Chen, T. Ch.; Zubieta, J. Polyhedron 1986, 5, 1655.
53. Proust, A.; Thouvenot, R.; Chaussade, M.; Robert, F.; Gouzerh, P. Inorg. Chim. Acta 1994, 224, 81.
54. Berces, A.; Dickson, R. M.; Fan, L.; Jacobsen, H.; Swerhone, D.; Ziegler, T. Comput. Phys. Commun. 1997, 100, 247.
55. Jacobsen, H.; Berces, A.; Swerhone, D.; Ziegler, T. Comput. Phys. Commun. 1997, 100, 263.
56. Wolff, S. K. Int. J. Quantum Chem. 2005, 104, 645.
57. Bridgeman, A. J.; Cavigliasso, G. Inorg. Chem. 2002, 41, 1761.
58. Yang, X.; Waters, T.; Wang, X. B.; O'Hair, R. A. J.; Wedd, A. G.; Li, J.; Dixon, D. A.; Wang, L. S. J. Phys. Chem. A 2004, 108, 10089.
59. Li, J. J. Cluster Sci. 2002, 13, 137.
60. Nomiya, K.; Miwa, M. Polyhedron 1984, 3, 341.
61. Fonseca, C.; Handgraaf, J.-W.; Baerends, E. J.; Bickelhaupt, F. M. J. Comput. Chem. 2004, 25, 189.