Electronic Structure of Face- and Edge-Shared Bioctahedral Systems: A Comparison of M2Cl93- and M2Cl104-, M = Cr, Mo, W

Inorganic Chemistry

Volumn 37, Issue 15, 1998, Pages 3802-3808

  McGrady, John E ^a   Stranger, Robert ^a   Lovell, Timothy ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001593782     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic970553j     Document Type: Article

References (67)

1. Cotton, F. A.; Walton, R. A. Multiple Bonds Between Metal Atoms; Oxford University Press: Oxford, U.K., 1993 and references therein.
2. Neurock, M.; van Santen, R. A.; Biemolt, W.; Jansen, A. P. J. J. Am. Chem. Soc. 1994, 116, 6860.
3. McGhee, E. M.; Godfrey, M. R.; Hoffman, B. M.; Ibers, J. A. Inorg. Chem. 1991, 30, 803.
4. (a) Koga, N.; Morokuma, K. Chem. Rev. 1991, 91, 823.
5. (b) Neyman, K. M.; Nasluzov, V. A.; Hahn, J.; Landis, C. R.; Rösch, N. Organometallics 1997, 16, 995.
6. Holm, R. H.; Kennepohl, P.; Solomon, E. I. Chem. Rev. 1996, 96, 2239 and references therein.
7. Holmes, M. A.; LeTrong, I.; Turley, S.; Sieker, L. C.; Stenkamp, R. E. J. Mol. Biol. 1991, 218, 583.
8. Magnus, K.; Ton-That, H. J. Inorg. Biochem. 1992, 47, 20.
9. Gamelin, D. R.; Kirk, M. L.; Stemmler, T. L.; Pal, S.; Armstrong, W. H.; Penner-Hahn, J. E.; Solomon, E. I. J. Am. Chem. Soc. 1994, 116, 2392.
10. Brudvig, G. W.; Thorp, H. H.; Crabtree, R. H. Acc. Chem. Res. 1991, 24, 311.
11. Sykes, A. G. Met. Ions Biol. Syst. 1991, 27, 291.
12. Cotton, F. A.; Ucko, D. A. Inorg. Chim. Acta 1972, 6, 161.
13. (a) Dunbar, K. R.; Pence, L. E. Acta Crystallogr. 1991, C47, 23.
14. (b) Watson, W. H., Jr.; Waser, J. Acta Crystallogr. 1958, 11, 689.
15. (c) Stranger, R.; Grey, I. E.; Madsen, I. C.; Smith, P. W. J. Solid State Chem. 1987, 69, 162.
16. (a) Saillant, R.; Wentworth, R. A. D. Inorg. Chem. 1968, 7, 1606.
17. (b) Wessel, G. J.; Ijdo, D. J. W. Acta Crystallogr. 1957, 10, 466.
18. (c) Grey, I. E.; Smith, P. W. Aust. J. Chem. 1971, 24, 73.
19. Cotton, F. A. Polyhedron 1987, 6, 667.
20. (a) Zalkin, A.; Sands, D. E. Acta Crystallogr. 1958, 11, 615.
21. (b) Sands, D. E.; Zalkin, A. Acta Crystallogr. 1959, 12, 723.
22. (c) Cotton, F. A.; Rice, C. E. Acta Crystallogr. 1978, B34, 2833.
23. (d) Mucker, K.; Smith, G. S.; Johnson, Q. Acta Crystallogr. 1968, B24, 874.
24. (a) Eicher, J.; Klingelhöfer, P.; Müller, U.; Dehnicke, K. Z. Anorg. Allg. Chem. 1984, 514, 79.
25. (b) Kistenmacher, T. J.; Stucky, G. P. Inorg. Chem. 1971, 10, 122.
26. (c) Eicher, J.; Müller, U.; Dehnicke, K. Z. Anorg. Allg. Chem. 1985, 521, 37.
27. (d) Hey, E.; Weller, F.; Dehnicke, K. Z. Anorg. Allg. Chem. 1984, 508, 86.
28. (e) Schmidt, I.; Patt-Siebel, U.; Müller, U.; Dehnicke, K. Z. Anorg. Allg. Chem. 1988, 556, 57.
29. (f) Wendt, A.; Preetz, W. Z. Anorg. Allg. Chem. 1994, 620, 655.
30. (g) Calderazzo, F.; Pallavicini, P.; Pampaloni, G.; Zanazzi, P. F. J. Chem. Soc., Dalton Trans. 1990, 2743.
31. (h) Krebs, B.; Henckel, G.; Dartmann, M.; Preetz, W.; Bruns, M. Z. Naturforsch. 1984, 39b, 843.
32. (i) Bruns, M.; Preetz, W. Z. Anorg. Allg. Chem. 1986, 537. 88.
33. (j) Cotton, F. A.; Duraj, S. A.; Hinckley, C. C.; Matusz, M.; Roth, W. J. Inorg. Chem. 1984, 23, 3080.
34. (k) Hollmann, P.; Preetz, W. Z. Naturforsch. 1992, 47b, 1115.
35. (l) Hollmann, P.; Preetz, W. Z. Anorg. Allg. Chem. 1991, 601, 47.
36. Heath, G. A.; Humphrey, D. G. Chem. Commun. 1990, 672.
37. Lovell, T.; McGrady, J. E.; Stranger, R.; Macgregor, S. A. Inorg. Chem. 1996, 35, 3079.
38. McGrady, J. E.; Stranger, R.; Lovell, T. J. Phys. Chem. A 1997, 101, 6265.
39. McGrady, J. E.; Stranger, R.; Lovell, T. Inorg. Chem. 1997, 36, 3242.
40. Stranger, R.; McGrady, J. E.; Lovell, T. Submitted to Inorg. Chem.
41. (a) Noodleman, L.; Norman, J. G. J. Chem. Phys. 1979, 70, 4903.
42. (b) Noodleman, L. J. Chem. Phys. 1981, 74, 5737.
43. (a) Medley, G. A.; Stranger, R. Inorg. Chem. 1994, 33, 3976.
44. (b) Brown, C. A.; Remar, G. J.; Musselman, R. L.; Solomon, E. I. Inorg. Chem. 1995, 34, 688.
45. (c) Mouesca, J.-M.; Chen, J. L.; Noodleman, L.; Bashford, D.; Case, D. A. J. Am. Chem. Soc. 1994, 116, 11898.
46. (d) Noodleman, L.; Case, D. A. Adv. Inorg. Chem. 1992, 38, 423.
47. (e) Jacobsen, H.; Kraatz, H. B.; Ziegler, T.; Boorman, P. M. J. Am. Chem. Soc. 1992, 114, 7851.
48. (f) Ross, P. K.; Solomon, E. I. J. Am. Chem. Soc. 1991, 113, 3246.
49. (g) Bencini, A. Gatteschi, D. J. Am. Chem. Soc. 1986, 108, 5763.
50. (h) Noodleman, L.; Baerends, E. J. J. Am. Chem. Soc. 1984, 106, 2316.
51. (i) Aizman, A.; Case, D. A. J. Am. Chem. Soc. 1982, 104, 3269.
52. (j) Andzelm, J.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280.
53. (k) Zhao, X. G.; Richardson, W. H.; Chen, J.-L.; Noodleman, L.; Tsai, H.-L.; Hendrickson, D. N. Inorg. Chem. 1997, 36, 1198.
54. (l) McGrady, J. E.; Stranger, R. J. Am. Chem. Soc. 1997, 119, 8512.
55. (a) Edgecombe, K. E.; Becke, A. D. Chem. Phys. Lett. 1995, 244, 427.
56. (b) Delley, B.; Freeman, A. J.; Ellis, D. E. Phys. Rev. Lett. 1985, 54, 661.
57. (c) Baykara, N. A.; McMaster, B. N.; Salahub, D. R. Mol. Phys. 1984, 52, 891.
58. (d) Dunlap, B. I. Phys. Rev. A 1983, 27, 2217.
59. (e) Ziegler, T.; Tschinke, V.; Becke, A. Polyhedron 1987, 6, 685.
60. Ziegler, T. Chem. Rev. 1991, 91, 651.
61. (a) Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 42.
62. (b) Baerends, E. J.; Ros, P. Int. J. Quantum Chem. 1978, S12, 169.
63. (c) te Velde, G.; Baerends E. J. J. Comput. Phys. 1992, 99, 84.
64. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
65. Versluis, L.; Ziegler, T. J. Chem. Phys. 1988, 88, 322.
66. Summerville, R. H.; Hoffmann, R. J. Am. Chem. Soc. 1979, 101, 3821.
67. Shaik, S.; Hoffmann, R.; Fisel, C. R.; Summerville, R. H. J. Am. Chem. Soc. 1980, 102, 4555.