New oxamidato-bridged CuII-NiII complexes: Supramolecular structures with thiocyanate ligands and hydrogen bonds. Magnetostructural studies: DFT calculations

Inorganic Chemistry

Volumn 41, Issue 25, 2002, Pages 6780-6789

  Tercero, Javier ^a   Diaz, Carmen ^a   Ribas, Joan ^a   Ruiz, Eliseo ^a   Mahía, José ^b   Maestro, Miguel ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF A CORUÑA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER COMPLEX; LIGAND; METAL COMPLEX; NICKEL COMPLEX; THIOCYANIC ACID DERIVATIVE;

ARTICLE; COMPLEX FORMATION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; INFRARED SPECTROSCOPY; MAGNETIC FIELD; MODEL; MOLECULAR INTERACTION; STRUCTURE ANALYSIS; THEORY; X RAY CRYSTALLOGRAPHY;

EID: 0037121880     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic025910r     Document Type: Article

References (40)

1. Kahn, O. Adv. Inorg. Chem. 1996, 43, 179.
2. Kahn, O. Struct. Bonding (Berlin) 1987, 68, 89.
3. Aukauloo, A.; Ottenwaelder, X.; Ruiz, R.; Journaux, Y.; Pei, Y.; Rivière, E.; Muñoz, C. Eur. J. Inorg. Chem. 2000, 951 and references therein.
4. Ruiz, R.; Faus, J.; Lloret, F.; Julve, M.; Journaux, Y. Coord. Chem. Rev. 1999, 193-195, 1069.
5. Stumpf, H. O.; Pei, Y.; Kahn, O.; Sletten, J.; Renard, J. P. J. Am. Chem. Soc. 1993, 115, 6738.
6. Gao, E. Q.; Tang, J. K.; Liao, D. Z., Jiang, Z. H.; Yan, S. P.; Wang, G. L. Inorg. Chem. 2001, 40, 3134.
7. Tercero, J.; Diaz, C.; El Fallah, M. S.; Ribas, J.; Maestro, M. A.: Mahía, J. Inorg. Chem. 2001, 40, 3077.
8. Tercero, J.; Diaz, C.; Ribas, J.; Mahía, J.; Maestro, M. A.; Solans, X. J. Chem. Soc., Dalton Trans. 2002, 2040.
9. Gao, E. Q.; Zhao, Q. H.; Tang, J. K., Liao, D. Z.; Jiang, Z. H.; Yan, S. P.J. Chem Soc., Dalton Trans. 2001, 1537.
10. Ribas, J.; Diaz, C.; Solans, X.; Font-Bardía, M. Inorg. Chim. Acta 1995, 229.
11. Ribas, J.; Diaz, C.; Solans, X.; Font-Bardía, M. J. Chem. Soc., Dalton Trans. 1996, 35.
12. Unamuno, I.; Gutierrez-Zorrilla, J. M.; Luque, A.; Román, P.; Lezama, L.; Calvo, R.; Rojo, T. Inorg. Chem. 1998, 37, 6452.
13. Lloret, F.; Julve, M.; Faus, J.; Journaux, Y.; Philoche-Levisalles, M.; Jeannin, Y. Inorg, Chem. 1989, 28, 3702.
14. Zhang, H. X.; Kang, B. S.; Zhou, Z. Y.; Chan, A. S. C.; Chen, Z. N.; Ren, C. J. Chem Soc., Dalton Trans. 2001, 1664.
15. Zhang, H. X.; Kang, B. S.; Xu, A. W.; Chen, Z. N.; Zhou, Z. Y.; Chan, A. S. C.; Yu, K. B.; Ren, C. J. Chem Soc., Dalton Trans. 2001, 2559.
16. Lloret, F.; Julve, M.; Real, J. A.; Faus, J.; Ruiz, R.; Mollar, M.; Castro, I.; Bois, C. Inorg. Chem. 1992, 31, 2956.
17. Chen, Z. N.; Qiu, J.; Wu, Z. K.; Fu, D. G.; Yu, K. B. J. Chem. Soc., Dalton Trans. 1994, 1923.
18. Ribas, J.; Diaz, C.; Costa, R.; Tercero, J.; Solans, X.; Font-Bardía, M.; Stoeckli-Evans, H. Inorg. Chem. 1998, 37, 233.
19. Diaz, C.; Ribas, J.; Costa, R.; Tercero, J.; El Fallah, M. S.; Solans, X.: Font-Bardía, M. Eur. J. Inorg. Chem. 2000, 675.
20. Tercero, J.; Diaz, C.; Ribas, J.; Mahía, J.; Maestro, M. A. Chem. Commum. 2002, 364.
21. Escuer, A.; Vicente, R.; Ribas, J.; Costa, R.; Solans, X. Inorg. Chem. 1992, 31, 2627 and references therein.
22. Ojima, H.; Nonoyama, K. Z. Anorg. Allg. Chem. 1972, 398, 75.
23. Ribas, J.; Garcia, A.; Monfort, M. Polyhedron 1991, 10, 103.
24. Sheldrick, G. M. SADABS; University of Göttingen: Göttingen, Germany, 1996. Program for absorption corrections using Broker CCD data.
25. Sheldrick, G. M. Bruker SHELXTL-PC; University of Göttingen: Göttingen, Germany, 1997.
26. Ruiz, E.; Alemany, P.; Alvarez, S.; Cano, J. J. Am. Chem. Soc. 1997, 119, 1297.
27. Ruiz, E.; Cano, J.; Alvarez, S.; Alemany, P. J. Am. Chem. Soc. 1998, 120, 11122.
28. Cano, J.; Alemany, P.; Alvarez, S.; Ruiz, E.; Rodríguez-Fortea, A. Chem. Eur. J. 2000, 6, 327.
29. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
30. Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
31. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
32. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
33. Frisch, M. J., et al. GAUSSIAN98. Rev, A.9: Gaussian. Inc.: Pittsburgh, PA, 1998.
34. Ruiz, E.; Cano, J.; Alvarez, S.; Alemany, P. J. Comput. Chem. 1999, 20, 1391.
35. Polo, V.; Kraka, E.; Cremer, D. Theor. Chem. Acc. 2002, 107, 291.
36. Schaefer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571.
37. Bencini, A.; Gatteschi, D. EPR of Exchange Coupled Systems; Springer-Verlag: Berlin, 1990.
38. Desplanches, C.; Ruiz, E.; Rodríguez-Fortea, A.; Alvarez, S. J. Am. Chem. Soc. 2002, 124, 5197.
39. Hay, P. J.; Thibeault, J. C.; Hoffmann, R. J. Am. Chem. Soc. 1975, 97, 4884.
40. Gatteschi, D.; Pardi, L. Gazz. Chim. Ital. 1993, 123, 231.