Structural Modeling and Magneto-Structural Correlations for Hydroxo-Bridged Copper(II) Binuclear Complexes

Inorganic Chemistry

Volumn 36, Issue 17, 1997, Pages 3683-3688

  Ruiz, Eliseo ^a   Alemany, Pere ^a   Alvarez, Santiago ^a   Cano, Joan ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001273031     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic970310r     Document Type: Article

References (43)

1. Kahn, O.; Pei, Y.; Journaux, Y. In Inorganic Materials; Brace, Q. W., O'Hare, D., Eds.; John Wiley & Sons: Chichester, U.K., 1992.
2. Kahn, O. Molecular Magnetism; VCH Publishers: New York, 1993.
3. Gatteschi, D.; Kahn, O.; Miller, J. S.; Palacio, F. Magnetic Molecular Materials; Kluwer Academic: Dordrecht, The Netherlands. 1991.
4. Volkov, V. V.; Rakitin, Y. V.; Kalinnikov, V. T. Koord. Khim. 1983, 9, 31.
5. Crawford, V. H.; Richardson, H. W.; Wasson, J. R.; Hodgson, D. J.; Hatfieid, W. E. Inorg. Chem. 1976, 15, 2107.
6. Ruiz, E.; Alemany, P.; Alvarez, S.; Cano. J. J. Am. Chem. Soc. 1997, 119, 1297.
7. Hay, P. J.; Thibeault, J. C.; Hoffmann. R. J. Am. Chem, Soc. 1975, 97, 4884.
8. Castell, O.; Caballoll, R.; García, V. M.; Handrick. K. lnorg. Chem. 1996, 35, 1609.
9. Chariot, M. F.; Verdaguer, M.; Journaux. Y.; de Loth, P.; Daudey, J. P. Inorg. Chem. 1984, 23, 3802.
10. Daudey, J. P.; de Loth, P.; Malrieu. J. P. In Magneto-Structural Correlations in Exchange Coupled Systems: Willett. R. D., Gatteschi. D., Kahn, O., Eds.; Series C, Mathematical and Physical Sciences, Vol. 140; Kluwer Academic Publishers: Dordrecht. The Netherlands, 1985.
11. Fink, K.; Fink, R.; Staemmler, V. Inorg. Chem. 1994, 33, 6219.
12. Miralles, J.; Castell, O.; Caballoll, R.; Malrieu, J.-P. Chem. Phys. 1993, /72, 33.
13. Astheimer, H.; Haase, W. J. Chem. Phys. 1986, 85, 1427.
14. Parr, R. G.; Yang, W. Density-functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
15. Schafer. A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571.
16. Frisch, M. J.; et al. Gaussian 94; Gaussian, Inc: Pittsburgh, PA, 1994.
17. Becke. A. D.J. Chem. Phys. 1993, 95, 5648.
18. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
19. Lee, C.; Yang. W.; Pair, R. G. Phys. Rev. B 1988, 37, 785.
20. Noodleman, L. J. Chem. Phys. 1981, 74, 5737.
21. Noodleman, L.; Davidson, E. R. Chem. Phys. 1986, 109, 131.
22. Noodleman, L.; Peng, C. Y.; Case, D. A.; Mouesca, J. M. Coord. Chem. Rev. 1995, 144, 199.
23. Noodleman, L.; Case, D. A. Adv. Inorg, Chem. 1992, 38, 423.
24. Majeste, R. J.; Meyers, E. A. J. Phys. Chem. 1970, 74, 3497.
25. Mitchell T. P.; Bernard, W. H.; Wasson, J. R. Acta Crystallogr, Sect. B 1970, 26, 2096.
26. Lovell, T.; McGrady, J. E.; Stranger, R.; Macgregor, S. A. Inorg. Chem. 1996, 35, 3079.
27. Thompson, L. K.; Mandal, S. K.; Tandon, S. S.; Bridson, J. N.; Park, M. K. Inorg. Chem. 1996, 35, 3117.
28. Castro, I.; Faus. J.; Julve. M.; Verdaguer, M.; Monge, A.; Gutierrez-Puebla. E. Inorg. Chim. Acta 1990, 170, 251.
29. Chaudhuri, P.; Ventur, D.; Wieghardt, K.; Peters, E. M.; Peters, K.; Simon, A. Angew. Chem., Int. Ed. Engl. 1985, 24, 57.
30. de Munno, G.; Julve. M.; Lloret, F.; Faus, J.; Verdaguer, M.; Caneschi, A. Inorg. Chem. 1995, 34, 157.
31. Estes. E. D.; Hatfieid. W. E.; Hodgson. D. J. Inorg. Chem. 1974, 13, 1654.
32. Figgis, B. N.; Mason. R.; Smith. A. R. P.; Verghese. J. N.; Williams, G. A. J. Chem. Soc., Dation Trans. 1983, 703.
33. Ivarsson, G. J. M. Acta Chem. Scand., Ser. A 1979, 33, 323.
34. Lewis. D. L.; Hatfieid. W. E.; Hodgson. D. J. Inorg. Chem. 1972, 11, 2216.
35. Lewis, D. L.; Hatfieid, W. H.; Hodgson, D. J. Inorg. Chem. 1974, 13, 147.
36. Lewis, D. L.; McGregor, K. T.; Hatfieid, W. H.; Hodgson, D. J. Inorg. Chem. 1974, 13, 1013.
37. Toofan. M.; Boushehri, A.; Ul-Haque, M. J. Chem. Soc.,Dation Trans, 1976, 217.
38. The following structural parameters were used for the model calculations: Cu-O = 1.9 Å, Cu-N = 2.0 Å, C-N = 1.34 Å, N-H = 1.0 Å. C-H = 1.0 Å, 0-H = 0.9 Å; Cu-N-C = 115°, H-C-N = 123.25°, H-N-Cu = 122.5°, Cu-Cu-N = 138.5°.
39. Allen, F. H.; Kennard, O. Chem. Des. Autom. News 1993, 8, 31.
40. Martens, C. F.; Scheming, A. P. H. J.; Feiters, M. C.; Heck, J.; Beurskens, G.; Beurskens, P. T.; Steiwender, E.; Nolte, R. J. M. Inorg. Chem. 1993, 32, 3029.
41. Chariot, M. F.; Jeannin, S.; Jeanin, Y.; Kahn, O.; Lucrece-Abaul, J.; Martin-Frere, J. Inorg. Chem. 1979, 18, 1675.
42. Chariot, M. F.; Jeannin, S.; Jeanin, Y.; Kahn, O.; Lucrece-Abaul, J.; Martin-Frere, J. Inorg. Chem. 1980, 19, 1410.
43. Rentschier, E.; Gatteschi, D.; Cornia, A.; Fabretti, A. C.; Barra, A.L.; Shchegolikhina, O. I.; Zhdanov, A. A. Inorg. Chem. 1996, 35, 4427.