New routes to polymetallic clusters: Fluoride-based tri-, deca-, and hexaicosametallic MnIII clusters and their magnetic properties

Chemistry - A European Journal

Volumn 10, Issue 20, 2004, Pages 5180-5194

  Jones, Leigh F ^a   Rajaraman, Gopalan ^a   Brockman, Jonathon ^b   Murugesu, Muralee ^b   San̂udo, E Carolina ^b   Raftery, Jim ^a   Teat, Simon J ^d   Wernsdorfer, Wolfgang ^c   Christou, George ^b   Brechin, Euan K ^a   Collison, David ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b University of Florida ^*  (United States)

^c LABORATOIRE DE CRISTALLOGRAPHIE   (France)

^d DARESBURY LABORATORY   (United Kingdom)

Author keywords

Cluster compounds; Density functional calculations; Fluorides; Magnetic properties; Manganese; N ligands

Indexed keywords

CHEMICAL REACTIONS; CRYSTALLIZATION; HIGH TEMPERATURE EFFECTS; IONS; MAGNETIC PROPERTIES; MANGANESE;

CLUSTER CHEMISTRY; REACTION SCHEMES; SINGLE-CRYSTAL STUDIES; SPACE GROUPS;

SYNTHESIS (CHEMICAL);

BENZOTRIAZOLE DERIVATIVE; FLUORIDE; MANGANESE DERIVATIVE;

ARTICLE; ATMOSPHERE; CRYSTAL STRUCTURE; CRYSTALLIZATION; DENSITY FUNCTIONAL THEORY; LOW TEMPERATURE; MAGNETISM; MELTING POINT; MOLECULAR DYNAMICS; STRUCTURE ANALYSIS; SYNTHESIS; TEMPERATURE DEPENDENCE;

CRYSTALLOGRAPHY, X-RAY; FLUORIDES; MAGNETICS; MANGANESE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; TEMPERATURE;

EID: 7044241327     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400301     Document Type: Article

References (48)

1. Manganese Redox Enzymes (Ed.: V. L. Pecoraro), VCH, Weinheim, 1992.
2. N. A. Law, M. T. Caudle, V. L. Pecoraro. Advances in Inorganic Chemistry (Ed.: A. G. Sykes), Academic Press, London, 1998, 46, 305.
3. a) J. B. Vincent, C. Christmas, H-R Chang, Q. Li, P. D. W. Boyd, J. C. Huffman, D. N. Hendrickson, G. Christou, J. Am. Chem. Soc. 1989, 111, 2086;
4. b) S. Wang, H.-L. Tsai, K. S. Hagen, D. N Hendrickson, G. Christou, J. Am. Chem. Soc. 1994, 116, 8376.
5. See, for example a) E. K. Brechin, M. Soler, G. Christou, J. Davidson, D. N. Hendrickson, S. Parsons, W. Wernsdorfer, Polyhedron 2003, 22, 1771; b) E. K. Brechin, M. Soler, G. Christou, M. Helliwell, S. J. Teat, W. Wernsdorfer, Chem. Commun. 2003, 1276.
6. See, for example a) E. K. Brechin, M. Soler, G. Christou, J. Davidson, D. N. Hendrickson, S. Parsons, W. Wernsdorfer, Polyhedron 2003, 22, 1771; b) E. K. Brechin, M. Soler, G. Christou, M. Helliwell, S. J. Teat, W. Wernsdorfer, Chem. Commun. 2003, 1276.
7. R. Sessoli, D. Gatteschi, D. N. Hendrickson, G. Christou, MRS Bull. 2000, 25, 66.
8. a) R. Sessoli, H.-L. Tsai, A. R. Schake, S. Wang, J. B. Vincent, K. Folting, D. Gatteschi, G. Christou, D. N. Hendrickson, J. Am. Chem. Soc. 1993, 115, 1804;
9. b) R. Sessoli, D. Gatteschi, A. Caneschi, M. A. Novak, Nature 1993, 565, 141.
10. M. Soler, W. Wernsdorfer, K. Folting, M. Pink, G. Christou, J. Am. Chem. Soc. 2004, 126, 2156, and references therein; A. J. Tasiopolous, A. Vinslava, W. Wernsdorfer, K. A. Abboud, G. Chrislou, Angew. Chem. 2004, 116, 2169; Angew. Chem. Int. Ed. 2094, 43, 2117.
11. M. Soler, W. Wernsdorfer, K. Folting, M. Pink, G. Christou, J. Am. Chem. Soc. 2004, 126, 2156, and references therein; A. J. Tasiopolous, A. Vinslava, W. Wernsdorfer, K. A. Abboud, G. Chrislou, Angew. Chem. 2004, 116, 2169; Angew. Chem. Int. Ed. 2094, 43, 2117.
12. M. Soler, W. Wernsdorfer, K. Folting, M. Pink, G. Christou, J. Am. Chem. Soc. 2004, 126, 2156, and references therein; A. J. Tasiopolous, A. Vinslava, W. Wernsdorfer, K. A. Abboud, G. Chrislou, Angew. Chem. 2004, 116, 2169; Angew. Chem. Int. Ed. 2004, 43, 2117.
13. D. N. Hendrickson, G. Chrislou, H. Ishimoto, J. Yoo, E. K. Brechin, A. Yamaguchi, E. M. Rumberger, S. M. J. Aubin, Z. Sun, G. Aromí, Polyhedron 2001, 20, 1479.
14. See, for example: E. K. Brechin, C. Boskovic, W. Wernsdorfer, J. Yoo, A. Yamaguchi, E. C. Sanudo, T. R. Concolino, A. L. Rheingold, H. Ishimolo, D. N. Hendrickson, G. Chrislou, J. Am. Chem. Soc. 2002, 124, 9710.
15. I. Dugdale, J. B. Collon, Corros. Sci. 1963, 3, 69.
16. V. Tangoulis, C. P. Raplopoulou, A. Terzis, E. G. Bakalbassis, E. Diamontopoulos, S. P. Perlepes, Mol. Cryst. Liq. Cryst. 1999, 555, 463.
17. D. M. Low, L. F. Jones, A. Bell, E. K. Brechin, T. Mallah, E. Rivière, S. J. Teal, E. J. L. McInnes, Angew. Chem. 2003, 115, 3911; Angew. Chem. Int. Ed. 2003, 42, 3781.
18. D. M. Low, L. F. Jones, A. Bell, E. K. Brechin, T. Mallah, E. Rivière, S. J. Teal, E. J. L. McInnes, Angew. Chem. 2003, 115, 3911; Angew. Chem. Int. Ed. 2003, 42, 3781.
19. a) N. V. Gerbeleu, YT. Struchkov, G. A. Timco, A. S. Batsanov, K. M. Indrichan, O.A. Popovic, Dokl. Chem. 1991, 313, 232;
20. b) N. V. Gerbeleu, Y. T. Struchkov, G. A Timco, A. S. Batsanov, K. M. Indrichan, G. A Popovic, Dokl. Akad. Nauk SSSR 1991, 313, 1459.
21. A. Bino, M. Ardon, D. Lee, B. Spingler, S. J. Lippard, J. Am. Chem. Soc. 2002, 124, 4578.
22. L. F. Jones, E. K. Brechin, D. Collison, A. Harrison, S. J. Teat, W. Wernsdorfer, Chem. Commun. 2002, 2974.
23. F. K. Larsen, J. Overgaard, S. Parsons, E. Rentschler, A. A. Smith, G. A. Timco, R. E. P. Winpenny, Angew. Chem. 2003, 115, 6160; Angew. Chem. Int. Ed. 2003, 42, 5978.
24. F. K. Larsen, J. Overgaard, S. Parsons, E. Rentschler, A. A. Smith, G. A. Timco, R. E. P. Winpenny, Angew. Chem. 2003, 115, 6160; Angew. Chem. Int. Ed. 2003, 42, 5978.
25. J. Cernik, W. Clegg, C. R. A. Callow, G. Bushnell-Wye, J. V. Flaherty, G. N. Greaves, I. Burrows, D. J. Taylor, S. J. Teat, M. Hamichi, J. Synchrotron Radiat. 1997, 4, 279-286; SMART version 5.054, Bruker AXS Madison, WI (USA), 1998; SAINT version 6.02a, Bruker-AXS, Madison, WI (USA), 2000; G. M. Sheldrick, SADABS, Program for scaling and correction of area detector data, University of Gottingen (Germany), 1997; G. M. Sheldrick, SHELXTL, version 5.10, Bruker AXS, Madison, WI (USA), 2000.
26. J. Cernik, W. Clegg, C. R. A. Callow, G. Bushnell-Wye, J. V. Flaherty, G. N. Greaves, I. Burrows, D. J. Taylor, S. J. Teat, M. Hamichi, J. Synchrotron Radiat. 1997, 4, 279-286; SMART version 5.054, Bruker AXS Madison, WI (USA), 1998; SAINT version 6.02a, Bruker-AXS, Madison, WI (USA), 2000; G. M. Sheldrick, SADABS, Program for scaling and correction of area detector data, University of Gottingen (Germany), 1997; G. M. Sheldrick, SHELXTL, version 5.10, Bruker AXS, Madison, WI (USA), 2000.
27. J. Cernik, W. Clegg, C. R. A. Callow, G. Bushnell-Wye, J. V. Flaherty, G. N. Greaves, I. Burrows, D. J. Taylor, S. J. Teat, M. Hamichi, J. Synchrotron Radiat. 1997, 4, 279-286; SMART version 5.054, Bruker AXS Madison, WI (USA), 1998; SAINT version 6.02a, Bruker-AXS, Madison, WI (USA), 2000; G. M. Sheldrick, SADABS, Program for scaling and correction of area detector data, University of Gottingen (Germany), 1997; G. M. Sheldrick, SHELXTL, version 5.10, Bruker AXS, Madison, WI (USA), 2000.
28. J. Cernik, W. Clegg, C. R. A. Callow, G. Bushnell-Wye, J. V. Flaherty, G. N. Greaves, I. Burrows, D. J. Taylor, S. J. Teat, M. Hamichi, J. Synchrotron Radiat. 1997, 4, 279-286; SMART version 5.054, Bruker AXS Madison, WI (USA), 1998; SAINT version 6.02a, Bruker-AXS, Madison, WI (USA), 2000; G. M. Sheldrick, SADABS, Program for scaling and correction of area detector data, University of Gottingen (Germany), 1997; G. M. Sheldrick, SHELXTL, version 5.10, Bruker AXS, Madison, WI (USA), 2000.
29. J. Cernik, W. Clegg, C. R. A. Callow, G. Bushnell-Wye, J. V. Flaherty, G. N. Greaves, I. Burrows, D. J. Taylor, S. J. Teat, M. Hamichi, J. Synchrotron Radiat. 1997, 4, 279-286; SMART version 5.054, Bruker AXS Madison, WI (USA), 1998; SAINT version 6.02a, Bruker-AXS, Madison, WI (USA), 2000; G. M. Sheldrick, SADABS, Program for scaling and correction of area detector data, University of Gottingen (Germany), 1997; G. M. Sheldrick, SHELXTL, version 5.10, Bruker AXS, Madison, WI (USA), 2000.
30. W. Wernsdorfer, Adv. Chem. Phys. 2001, 118, 99.
31. MAGNET, E. R. Davidson, Indiana University.
32. See, for example: C. Boskovic, W. Wernsdorfer, K. Folting, D. N. Hendrickson, G. Christou, Inorg. Chem. 2002, 41, 5107.
33. L. Thomas, A. Caneschi, B. Barbara, Phys. Rev. Lett. 1999, 83, 2398.
34. J. B. Vincent, H.-R. Chang, K. Folting, J. C. Huffman, G. Christou, D. N. Hendrickson, J. Am. Chem. Soc. 1987, 109, 5703.
35. K. Wieghardl, U. Bossek, B. Nuber, J. Weiss, J. Bonvoisin, M. Corbella, S. Vitols, J. J. Girerd, J. Am. Chem. Soc. 1988, 110, 7398.
36. L. Noodleman, J. Chem. Phys. 1981, 74, 5737.
37. a) E. Ruiz, S. Alvarez, J. Cano, P. Alemany, J. Comput. Chem. 1999, 20, 1391; E. Ruiz, A. R. Forlea, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 2003, 24, 982; E. Ruiz, J. Cano, S. Alvarez, A. Caneschi, D. Galleschi, J. Am. Chem. Soc. 2003, 125, 6791; A. AbuNawwas, J. Cano, P. Christian, T. Mallah, G. Rajaraman, S. J Teal, R. E. P. Winpenny, Y. Yukawa, Chem. Commun. 2004, 314;
38. a) E. Ruiz, S. Alvarez, J. Cano, P. Alemany, J. Comput. Chem. 1999, 20, 1391; E. Ruiz, A. R. Forlea, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 2003, 24, 982; E. Ruiz, J. Cano, S. Alvarez, A. Caneschi, D. Galleschi, J. Am. Chem. Soc. 2003, 125, 6791; A. AbuNawwas, J. Cano, P. Christian, T. Mallah, G. Rajaraman, S. J Teal, R. E. P. Winpenny, Y. Yukawa, Chem. Commun. 2004, 314;
39. a) E. Ruiz, S. Alvarez, J. Cano, P. Alemany, J. Comput. Chem. 1999, 20, 1391; E. Ruiz, A. R. Forlea, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 2003, 24, 982; E. Ruiz, J. Cano, S. Alvarez, A. Caneschi, D. Galleschi, J. Am. Chem. Soc. 2003, 125, 6791; A. AbuNawwas, J. Cano, P. Christian, T. Mallah, G. Rajaraman, S. J Teal, R. E. P. Winpenny, Y. Yukawa, Chem. Commun. 2004, 314;
40. a) E. Ruiz, S. Alvarez, J. Cano, P. Alemany, J. Comput. Chem. 1999, 20, 1391; E. Ruiz, A. R. Forlea, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 2003, 24, 982; E. Ruiz, J. Cano, S. Alvarez, A. Caneschi, D. Galleschi, J. Am. Chem. Soc. 2003, 125, 6791; A. AbuNawwas, J. Cano, P. Christian, T. Mallah, G. Rajaraman, S. J Teal, R. E. P. Winpenny, Y. Yukawa, Chem. Commun. 2004, 314;
41. b) P. Christian, G. Rajaraman, A. Harrison, J. J. W. McDouall, J. Raftery, R. E. P. Winpenny, J. Chem. Soc. Dalton Trans. 2004, 1511.
42. E. Ruiz, A. R. Fortea, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 2003, 24, 982; E. Ruiz, J. Cano, S. Alvarez, A. Caneschi, D. Gatteschi, J. Am. Chem. Soc. 2003, 125, 6791; E. Ruiz, S. Alvarez, A. Rodriguez-Forlea, P. Alemany, Y. Pouillon, C. Massobrio in Magnetism: Molecules to Materials Vol. 11 (Eds.: J. S. Miller, M. Drillon), Wiley-VCH, Weinheim, 2001; G. Rajaraman, J. Cano, E. K. Brechin, E. J. L. McInnes, Chem. Commun. 2004, 1476.
43. E. Ruiz, A. R. Fortea, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 2003, 24, 982; E. Ruiz, J. Cano, S. Alvarez, A. Caneschi, D. Gatteschi, J. Am. Chem. Soc. 2003, 125, 6791; E. Ruiz, S. Alvarez, A. Rodriguez-Forlea, P. Alemany, Y. Pouillon, C. Massobrio in Magnetism: Molecules to Materials Vol. 11 (Eds.: J. S. Miller, M. Drillon), Wiley-VCH, Weinheim, 2001; G. Rajaraman, J. Cano, E. K. Brechin, E. J. L. McInnes, Chem. Commun. 2004, 1476.
44. E. Ruiz, A. R. Fortea, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 2003, 24, 982; E. Ruiz, J. Cano, S. Alvarez, A. Caneschi, D. Gatteschi, J. Am. Chem. Soc. 2003, 125, 6791; E. Ruiz, S. Alvarez, A. Rodriguez-Forlea, P. Alemany, Y. Pouillon, C. Massobrio in Magnetism: Molecules to Materials Vol. 11 (Eds.: J. S. Miller, M. Drillon), Wiley-VCH, Weinheim, 2001; G. Rajaraman, J. Cano, E. K. Brechin, E. J. L. McInnes, Chem. Commun. 2004, 1476.
45. E. Ruiz, A. R. Fortea, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 2003, 24, 982; E. Ruiz, J. Cano, S. Alvarez, A. Caneschi, D. Gatteschi, J. Am. Chem. Soc. 2003, 125, 6791; E. Ruiz, S. Alvarez, A. Rodriguez-Forlea, P. Alemany, Y. Pouillon, C. Massobrio in Magnetism: Molecules to Materials Vol. 11 (Eds.: J. S. Miller, M. Drillon), Wiley-VCH, Weinheim, 2001; G. Rajaraman, J. Cano, E. K. Brechin, E. J. L. McInnes, Chem. Commun. 2004, 1476.
46. Gaussian 98, Revision A.11.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, N. Rega, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, 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, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 2002.
47. J. K. McCusker, H. G. Jang, S. Wang, G. Christou, D. N. Hendrickson, Inorg. Chem. 1992, 31, 1874.
48. J. Cano, E. Ruiz, S. Alvarez, M. Verdaguer, Comments Inorg. Chem. 1998, 20, 27.