On the origin of ferromagnetism in oximato-based [Mn3O]7+ triangles

Journal of the Chemical Society. Dalton Transactions

Volumn , Issue 2, 2007, Pages 234-240

  Cano, Joan ^a,b,c   Cauchy, Thomas ^a   Ruiz, Eliseo ^a,b   Milios, Constantinos J ^d   Stoumpos, Constantinos C ^f   Stamatatos, Theocharis C ^e,f   Perlepes, Spyros P ^f   Christou, George ^e   Brechin, Euan K ^d  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

^d UNIVERSITY OF EDINBURGH   (United Kingdom)

^e University of Florida   (United States)

^f UNIVERSITY OF PATRAS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 65349151117     PISSN: 14779226     EISSN: None     Source Type: Journal    
DOI: 10.1039/b710055h     Document Type: Article

References (35)

1. Th. C. Stamatatos, D. Foguet-Albiol, C.C. Stoumpos, C.P. Raptopoulou, A. Terzis, W. Wernsdorfer, S.P. Perlepes, G. Christou: J. Am. Chem. Soc. (2005), 127: 15380.
2. Th. C. Stamatatos, D. Foguet-Albiol, S.-C. Lee, C.C. Stoumpos, C.P. Raptopoulou, A. Terzis, W. Wernsdorfer, S.O. Hill, S.P. Perlepes, G. Christou: J. Am. Chem. Soc. (2007), 129: 9484.
3. R.D. Cannon, R.P. White: Prog. Inorg. Chem. (1988), 36: 195.
4. R.D. Cannon, U.A. Jayasooriya, R. Wu, S.K. arapKoske, J.A. Stride, O.F. Nielsen, R.P. White, G.J. Kearley, D.J. Summerfields: J. Am. Chem. Soc. (1994), 116: 11869.
5. C.J. Milios, E.K. Brechin: Polyhedron (2007), 26: 1927.
6. C.J. Milios, A. Vinslava, P.A. Wood, S. Parsons, W. Wernsdorfer, S.P. Perlepes, G. Christou, E.K. Brechin: J. Am. Chem. Soc. (2007), 129: 8.
7. C.J. Milios, A. Vinslava, A. Whittaker, S. Parsons, W. Wernsdorfer, S.P. Perlepes, G. Christou, E.K. Brechin: Inorg. Chem. (2006), 45: 5272.
8. C.J. Milios, C.P. Raptopoulou, A. Terzis, F. Lloret, R. Vicente, S.P. Perlepes, A. Escuer: Angew. Chem., Int. Ed. (2004), 43: 210.
9. A.D. Becke: Phys. Rev. A. (1988), 38: 3098.
10. C.T. Lee, W.T. Yang, R.G. Parr: Phys. Rev. B. (1988), 37: 785.
11. A.D. Becke: J. Chem. Phys. (1993), 98: 5648.
12. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.J.A. Montgomery, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez and J.A. Pople, Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford CT, (2004).
13. G.B. Bacskay: Chem. Phys. (1981), 61: 385.
14. A. Schäfer, H. Horn, R. Ahlrichs: J. Chem. Phys. (1992), 97: 2571.
15. A. Schäfer, C. Huber, R. Ahlrichs: J. Chem. Phys. (1994), 100: 5829.
16. Jaguar 6.0, Schrödinger, Inc., Portland, (2005).
17. E. Ruiz, J. Cano, S. Alvarez, P. Alemany: J. Comput. Chem. (1999), 20: 1391.
18. E. Ruiz, S. Alvarez, A. Rodríguez-Fortea, P. Alemany, Y. Puoillon, and C. Massobrio, in Magnetism: Molecules to Materials, ed. J. S. Miller, M. Drillon, Wiley-VCH, Weinheim, (2001), vol. II, p p. 5572-5580.
19. E. Ruiz, A. Rodriguez-Fortea, J. Cano, S. Alvarez, P. Alemany: J. Comput. Chem. (2003), 24: 982.
20. E. Artacho, J.D. Gale, A. García, J. Junquera, R.M. Martin, P. Ordejón, D. Sánchez-Portal, and J.M. Soler, J. M., In, SIESTA 1.3, (2001).
21. D. Sanchez-Portal, P. Ordejon, E. Artacho, J.M. Soler: Int. J. Quantum Chem. (1997), 65: 453.
22. E. Artacho, D. Sanchez-Portal, P. Ordejon, A. Garcia, J.M. Soler: Phys. Status Solidi B (1999), 215: 809.
23. J.M. Soler, E. Artacho, J.D. Gale, A. Garcia, J. Junquera, P. Ordejon, D. Sanchez-Portal: J. Phys.: Condens. Matter (2002), 14: 2745.
24. J. Perdew, K. Burke, M. Ernzerhof: Phys. Rev. Lett. (1996), 77: 3865.
25. C. Massobrio, E. Ruiz: Monatsh. Chem. (2003), 134: 317.
26. E. Ruiz, A. Rodríguez-Fortea, J. Tercero, T. Cauchy, C. Massobrio: J. Chem. Phys. (2005), 123: 074102.
27. L. Kleinman, D.M. Bylander: Phys. Rev. Lett. (1982), 48: 1425.
28. N. Trouiller, J.L. Martins: Phys. Rev. B (1991), 43: 1993.
29. S.G. Louie, S. Froyen, M.L. Cohen: Phys. Rev. B (1982), 26: 1982.
30. P. Chaudhuri, E. Rentschler, F. Birkelbach, C. Krebs, E. Bill, T. Weyhermuller, U. Florke: Eur. J. Inorg. Chem. (2003), 541.
31. O. Kahn, Molecular Magnetism, VCH Publishers, Inc., New York, (1993).
32. L. Gutierrez, G. Alzuet, J.A. Real, J. Cano, J. Borras, A. Castineiras: Inorg. Chem. (2000), 39: 3608-3614.
33. P.J. Hay, J.C. Thibeault, R. Hoffmann: J. Am. Chem. Soc. (1975), 97: 4884.
34. G. Christou, S.P. Perlepes, E. Libby, K. Folting, J.C. Huffman, R.J. Webb, D.N. Hendrickson: Inorg. Chem. (1990), 29: 3657.
35. O. Kahn, B. Briat: J. Chem. Soc., Faraday Trans. 2 (1976), 72: 268.