Density Functional Study of the Photodissociation of Mn2(CO)10

Inorganic Chemistry

Volumn 35, Issue 10, 1996, Pages 2886-2897

  Rosa, Angela ^a   Ricciardi, Giampaolo ^a   Baerends, Evert Jan ^b   Stufkens, Derk J ^c  

^a UNIVERSITY OF BASILICATA   (Italy)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

^c UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001684017     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic950518h     Document Type: Article

References (79)

1. (a) Geoffroy, G. L.; Wrighton, M. S. Organumetallic Photochemistry; Academic: New York, 1979.
2. (b) Geoffroy, G. L. J. Chem. Educ. 1983. 60, 861.
3. Wegman, R. W.; Olsen, R. J.; Gard, D. R; Faulkner, L. R.; Brown, T. L. J. Am. Chem. Soc. 1981, 103, 6089.
4. Wrighton, M. S.; Ginley, D. S. J. Am. Chem. Soc. 1975, 97, 2065.
5. Stufkens, D. J. Coord. Chem. Rev. 1990, 104, 39.
6. Yasufuku, K.; Kobayashi, T.; Iwai, J.; Yesaka, H.; Noda, H.; Ohtani, H. Coord. Chem. Rev. 1985, 64, 1.
7. Rothberg, L. J.; Cooper, N. J.; Peters, K. S.; Vaida, V. J. Am. Chem. Soc. 1984, 104, 3536.
8. Church, S. P.; Herman, H.; Grevels. F.-W.; Schaffner, K. J. Chem. Soc., Chem. Commun. 1984, 785, and references cited therein.
9. Hepp, A. F.; Wrighton, M. S. J. Am. Chem. Soc. 1983, 105, 5934.
10. Leopold, D. G.; Vaida. V. J. Am. Chem. Soc. 1984, 106, 3720.
11. (a) Walker, H. W.; Herrick, R. S.; Olsen, R. J; Brown. T. L. Inorg. Chem. 1984, 23, 3748.
12. (b) Herrick, R. S.; Brown, T. L. Inorg. Chem. 1984, 23, 4550.
13. Yesaka, H.; Kobayashi, T.; Yasufuku, K.; Nagakura, S. J. Am. Chem. Soc. 1983, 105, 6249.
14. Zhang, J. Z.; Harris, C. B.; J. Chem. Phys. 1991, 95, 4024.
15. Joly, A. G.; Nelson, K. A. Chem. Phys. 1991, 152, 69.
16. Kobayashi, T.; Ohtani, H.; Noda, H.; Teratani, S.; Yamazaki, H.; Yasufuku, K. Organometallics 1986, 5, 110.
17. Prinslow, D. A.; Vaida, V. J. Am. Chem. Soc. 1987, 109, 5097.
18. Rosa, A.; Ricciardi, G.; Baerends, E. J.; Stufkens, D. J. Inorg. Chem. 1995, 34, 3425.
19. Daniel, C.; Bénard, M.; Dedieu, A.; Wiest, R.; Veillard, A. J. Phys. Chem. 1984, 88, 4805.
20. Daniel, C.; Hyla-Kryspin, I.; Demuynck, J.; Veillard, A. Nouv. J. Chim. 1985, 9, 581.
21. Veillard, A.; Daniel, C.; Strich, A. Pure Appl. Chem., 1988, 60 (2), 215.
22. Veillard, A.; Strich, A. J. Am. Chem. Soc. 1988, 110, 3793.
23. Daniel, C. Proceedings of the 8th International Symposium on the Photochemistry and Photophysics of Coordination Compounds; Coordination Chemistry Reviews, Elsevier Science Publishers B. V.; Amsterdam. 1990; Vol. 97, p 141.
24. Daniel, C. J. Phys. Chem. 1991, 95, 2394.
25. Rohmer, M. M.; Veillard, A. New J. Chem. 1991. 15, 795.
26. Daniel, C. J. Am. Chem. Soc. 1992, 114, 1625.
27. (a) Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 42.
28. (b) Baerends, E. J.; Ros. P. Int. J. Quantum Chem. 1979, S12, 169.
29. (a) Boerrigter, P. M.; te Velde, G.; Baerends, E. J.; Int. J. Quantum Chem. 1988, 33, 87.
30. (b) le Velde, G.; Baerends, E. J. J. Comput. Phys. 1992, 99, 84.
31. Parr, R. G.; Yang,W. Density-Functional Theory of Atoms and Molecules; Oxford University Press: New York. 1989.
32. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
33. (a) Becke, A. D. J. Chem. Phys. 1986, 84, 4524.
34. (b) Becke, A. D. Phys. Rev. 1988. A38, 3098.
35. (a) Perdew, J. P. Phys. Rev. 1986. B33, 8822.
36. (b) Perdew, J. P.Phys. Rev. 1986, B34, 7406.
37. Ziegler, T.; Tschinke, V.; Ursenbach, C. J. Am. Chem. Soc. 1987, 109, 4825.
38. Ziegler, T.; Tschinke, V.; Becke, A. Polyhedron 1987, 6, 685.
39. (a) Ziegler, T.; Tschinke, V.; Becke, A. J. Am. Chem. Soc. 1987, 109, 1351.
40. (b) Ziegler, T.; Cheng, W.; Baerends, E. J.; Ravenek, W. Inorg. Chem. 1988, 27, 3458.
41. (c) Ziegler, T.; Tschinke, V.; Baerends, E. J.; Snijders. J. G.; Ravenek, W. J. Phys. Chem. 1989, 93, 3050.
42. (d) Ziegler, T.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1981, 74, 5737.
43. Ziegler, T.; Tschinke, V.; Versluis, L.; Baerends, E. J.; Ravenek, W. Polyhedron 1988, 7, 1625.
44. Church, S. P.; Poliakoff, M.; Timney, J. A.; Turner, J. J. J. Am. Chem. Soc. 1981, 103, 7515.
45. MacNeil, J. H.; Chiverton, A. C.; Fortier, S.; Baird, M. C.; Hynes, R. C.; Williams, A. J.; Preston, K. F.; Ziegler, T. J. Am. Chem. Soc. 1991, 113, 9834.
46. Versluis, L.; Ziegler, T. J. Chem. Phys. 1988, 88, 322.
47. Zhang, S.; Zhang, H.-T.; Brown, T. L. Organometallics 1992, 12, 3929.
48. Waldman, A.; Ruhman, S.; Shaik, S.; Sastry, G. N. Chem. Phys. Lett. 1994, 230, 110.
49. Ziegler, T.; Rauk, A.; Baerends, E. J. Theoret. Chim. Acta 1977, 43, 261.
50. (a) Gross, E. K. U.; Oliveira, L. N.; Kohn, W. Phys. Rev. 1988, A37. 2805.
51. (b) Gross, E. K. U.; Oliveira, L. N.; Kohn, W. Phys. Rev. 1988, A37, 2809.
52. (c) Gross, E. K. U.; Oliveira, L. N.; Kohn, W. Phys. Rev. 1988, A37, 2821.
53. Nagy, A.; Andrejkovics, I. J. Phys. 1994, B27, 233.
54. (a) Ziegler, T.; Nagle, J. K.; Snijders, J. G.; Baerends, E. J. J. Am. Chem. Soc. 1989, 111, 5631.
55. (b) Ziegler, T. Inorg. Chem. 1993, 32, 2029.
56. Rosa, A.; Baerends, E. J. Inorg. Chem. 1994, 33, 584.
57. Daul, C.; Baerends, E. J.; Vernooijs, P. Inorg. Chem. 1994, 33, 3543.
58. von Barth. U. Phys. Rev: 1979, A20, 1693.
59. Lannoo, M.; Baraff, G. A.; Schlüter, M. Phys. Rev. 1981, B24, 943.
60. Wood, J. H. J. Phys. B: At. Mol. Phys. 1980, 13, 1.
61. Gunnarsson. O.; Lundqvist, B. I. Phys. Rev. 1976, B13, 4274.
62. (a) Deng, L.; Ziegler, T. Int. J. Quantum Chem. 1994, 52, 731.
63. (b) Deng, L.; Branchadell, V.; Ziegler, T. J. Am. Chem. Soc: 1994. 116, 10645.
64. (c) Fan, L.; Ziegler, T. J. Am. Chem. Soc. 1992, 114, 10890.
65. Folga, E.; Ziegler, T. J. Am. Chem. Soc. 1993, 115, 5169.
66. Almenningen, A.; Jacobsen, G. G.; Seip, H. M. Acta Chem. Scand. 1969, 23, 685.
67. Dabi, L. F.; Rundle, R. E. Acta Crystallogr. 1963, 16, 419.
68. Martin, M.; Rees, B.; Mitschler, A. Acta Crystallogr. 1982, B38, 6.
69. Simões, M.; Beauchamp, J. L. Chem. Rev. 1990, 90, 629.
70. Junk, G. A.; Svec, H. J. J. Chem. Soc. A 1970, 2102.
71. Bidinosti, D. R.; McIntyre, N. S. Can. J. Chem. 1970, 48, 593.
72. Connor, J. A.; Zafarani-Moattar, M. T.; Bickerton, J.; El Saied, N. I.; Suradi, S.; Carson, R.; Al-Takhin, G.; Skinner, H. A. Organmnetallics 1982, 1, 1166.
73. Marcomini, A.; Poë, A. J. Am. Chem. Soc. 1983, 105, 6952.
74. Marcomini, A., Poë, A. J. Am. Chem. Soc., Dalton Trans. 1984, 95.
75. Simões, M.; Beauchamp, J. L. Orgammetallics 1985, 4, 1238.
76. Goodman, J. L.; Peters, K. S.; Vaida, V. Organmnetallics 1986, 5, 815.
77. Smith, G. P. Polvhedron 1988, 7, 1605.
78. Veillard, A.; Rhomer, M.-M. Int. J. Quantum Chem. 1992, 42, 965.
79. Meyer, T. J.; Caspar, J. V. Chem. Rev. 1985, 85, 187.