Ligand effects on the ferro- to antiferromagnetic exchange ratio in bis(o-semiquinonato)copper(II)

Journal of the American Chemical Society

Volumn 129, Issue 34, 2007, Pages 10512-10521

  Ovcharenko, Victor I ^a   Gorelik, Elena V ^a   Fokin, Sergey V ^a   Romanenko, Galina V ^a   Ikorskii, Vladimir N ^a   Krashilina, Anna V ^b   Cherkasov, Vladimir K ^b   Abakumov, Gleb A ^b  

^a INTERNATIONAL TOMOGRAPHY CENTER   (Russian Federation)

^b G A RAZUVAEV INSTITUTE OF ORGANOMETALLIC CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETIC EXCHANGE INTERACTION; HETEROSPIN COMPLEXES; STRUCTURAL DISTORTIONS;

ANTIFERROMAGNETIC MATERIALS; COMPLEXATION; EXCHANGE INTERACTIONS; LIGANDS; ORGANOMETALLICS; PHASE TRANSITIONS; QUANTUM CHEMISTRY;

COPPER COMPOUNDS;

1,4 DIAZABICYCLO[2.2.2]OCTANE; 2 (PYRIDIN 3 YL) 4,4,5,5 TETRAMETHYL 4,5 DIHYDRO 1H IMIDAZOLE 3 OXIDE 1 OXYL; COPPER; LIGAND; NITROXIDE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; ELECTRON; ENERGY TRANSFER; MAGNETISM; MEASUREMENT; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS; SYNTHESIS;

EID: 34548291458     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja072463b     Document Type: Article

References (74)

1. (a) Buchanan, R. M.; Pierpont, C. G. J. Am. Chem. Soc. 1980, 102, 4951-4957.
2. (b) Jung, O.-S.; Pierpont, C. G. Inorg. Chem. 1994, 33, 2227-2235.
3. (c) Attia, S. A.; Jung, O.-S.; Pierpont, C. G. Inorg. Chim. Acta 1994, 226, 91-98.
4. (d) Attia, S. A.; Bhattacharya, S.; Pierpont, C. G. Inorg. Chem. 1995, 34, 4427-4433.
5. (e) Attia, S. A.; Pierpont, C. G. Inorg. Chem. 1995, 34, 1172-1179.
6. (f) Pierpont, C. G.; Lange, C. W. Prog. Inorg. Chem. 1994, 41, 331-442.
7. (g) Pierpont, C. G. Coord. Chem. Rev. 2001, 216-217, 99-125.
8. (h) Ohtsu, H.; Tanaka, K. Angew. Chem., Int. Ed. 2004, 43, 6301-6303.
9. (i) Abakumov, G. A.; Razuvaev, G. A.; Nevodchikov, V. I.; Cherkasov, V. K. J. Organomet. Chem. 1988, 341, 485-494.
10. (j) Abakumov, G. A.; Garnov, V. A.; Nevodchikov, V. I.; Cherkasov, V. K. Dokl. Akad. Nauk SSSR 1989, 304, 107-109.
11. (a) Shultz, D. A.; Sloop, J. C.; Washington, G. J. Org. Chem. 2006, 71, 9104-9113.
12. (b) Shultz, D. A. In Magnetism: Molecules to Materials, II: Molecular-Based Materials; Miller, J. S., Drillon, M., Eds.; Wiley-VCH: New York, 2001; pp 281-306.
13. (c) Hendrickson, D. N.; Pierpont, C. G. In Topics in Current Chemistry; Gütlich, P., Goodwin, H. A., Eds.; Springer-Verlag: Berlin, Heidelberg, 2004; Vol. 234, pp 64-95.
14. (d) Gütlich, P.; Dei, A. Angew. Chem., Int. Ed. Engl. 1997, 37, 2734.
15. (a) Jung, O.-S.; Jo, D. H.; Lee, Y.-A.; Conklin, B. J.; Pierpont, C. G. Inorg. Chem. 1997, 36, 19-24.
16. (b) Caneschi, A.; Dei, A.; Fabrizi de Biani, F.; Gütlich, P.; Ksenofontov, V.; Levchenko, G.; Hoefer, A.; Renz, F. Chem. Eur. J. 2001, 7, 3926-3930.
17. (c) Wolf, S. A.; Awschalom, D. D.; Buhrman, R. A.; Daughton, J. M.; von Molnar, S.; Roukes, M. L.; Chtchelkanova, A. Y.; Treger, D. M. Science 2001, 294, 1488-1495.
18. (d) Moser, J.-E. Nat. Mater. 2005, 4, 723-724.
19. (e) Tagami, K.; Tsukada, M. J. Phys. Chem. B 2004, 108, 6441-6444.
20. (f) Yuasa, J.; Suenobu, T.; Fukuzumi, S. J. Phys. Chem. A. 2005, 109, 9356-9362.
21. (g) Suenaga, Y.; Pierpont, C. G. Inorg. Chem. 2005, 44, 6183-6191.
22. (h) Evangelio, E.; Ruiz-Molina, D. Eur. J. Inorg. Chem. 2005, 2957-2971.
23. (i) Sato, O. J. Photochem. Photobiol. C: Photochem. Rev. 2004, 5, 203-223.
24. (j) Dei, A.; Gatteschi, D.; Sangregorio, C.; Sorace, L. Acc. Chem. Res. 2004, 37, 827-835.
25. (k) Jung, O.-S.; Pierpont, C. G. J. Am. Chem. Soc. 1994, 116, 1127-1128.
26. (l) Letard, J.-F.; Guionneau, P.; Goux-Capes, L. In Topics in Current Chemistry; Gütlich, P., Goodwin, H. A., Eds.; Springer-Verlag: Berlin, Heidelberg, 2004; Vol. 235, pp 221-249.
27. (a) Abakumov, G. A.; Nevodchikov, V. I. Dokl. Akad. Nauk SSSR 1982, 266, 1407-1410.
28. (b) Abakumov, G. A.; Cherkasov, V. K.; Bubnov, M. P.; Ellert, O. G.; Dobrokhotova, J. V.; Zakharov, L. N.; Struchkov, E. T. Dokl. Chem. 1993, 328, 12-14.
29. (c) Lebedev, B. V.; Smimova, N. N.; Abakumov, G. A.; Cherkasov, V. K.; Bubnov, M. P. J. Chem. Thermodyn. 2002, 34, 2093-2103.
30. (d) Smirnova, N. N.; Abakumov, G. A.; Cherkasov, V. K.; Kozhanov, K. A.; Arapova, A. V.; Bubnov, M. P. J. Chem. Thermodyn. 2006, 38, 678-684.
31. (a) Ovcharenko, V. l.; Fokin, S. V.; Romanenko, G. V.; Shvedenkov, Yu. G.; Ikorskii, V. N.; Tretyakov, E. V.; Vasilevsky, S. F. Russ. J. Struct. Chem. (Engl. Transl.) 2002, 43, 153-169.
32. (b) Ovcharenko, V. I.; Maryunina, K. Yu.; Fokin, S. V.; Tretyakov, E. V.; Romanenko, G. V.; Ikorskii, V. N. Russ. Chem. Bull. (Engl. Transl.) 2004, 2406-2427.
33. (c) Ovcharenko, V. l.; Fokin, S. V.; Romanenko, G. V.; Ikorskii, V. N.; Tretyakov, E. V.; Vasilevsky, S. F.; Sagdeev, R. Z. Mol. Phys. 2002, 100, 1107-1115.
34. (d) Rey, P.; Ovcharenko, V. I. In Magnetism: Molecules to Materials, IV; Miller, J. S., Drillon, M., Eds.; Wiley-VCH: New York, 2003; pp 41-63.
35. (a) Pierpont, C. G.; Buchanan, R. M. Coord. Chem. Rev. 1981, 38, 45-86.
36. (b) Pierpont, C. G. Coord. Chem. Rev. 2001, 219-221, 415-433.
37. (c) Poddel'sky, A. I.; Cherkasov, V. K.; Bubnov, M. P.; Abakumova, L. G.; Abakumov, G. A. J. Organomet. Chem. 2005, 690, 145-150.
38. (d) Chaudhuri, P.; Verani, C. N.; Bill, E.; Bothe, E.; Weyhermüller, T.; Wieghardt, K. J. Am. Chem. Soc. 2001, 123, 2213-2223.
39. (e) Chun, H.; Verani, C. N.; Chaudhuri, P.; Bothe, E.; Bill, E.; Weyhermüller, T.; Wieghardt, K. Inorg. Chem. 2001, 40, 4157-4166.
40. (f) Chun, H.; Chaudhuri, P.; Weyhermüller, T.; Wieghardt, K. Inorg. Chem. 2002, 41, 790-795.
41. (g) Poddel'sky, A. I.; Cherkasov, V. K.; Fukin, G. K.; Bubnov, M. P.; Abakumova, L. G.; Abakumov, G. A. Inorg. Chim. Acta 2004, 357, 3632-3640.
42. (h) Herebian, D.; Ghosh, P.; Chun, H.; Bothe, E.; Weyhermüller, T.; Wieghardt, K. Eur. J. Inorg. Chem. 2002, 1957-1967.
43. (i) Abakumov, G. A.; Cherkasov, V. K.; Poddel'sky, A. I.; Bubnov, M. P.; Abakumova, L. G.; Fukin, G. K. Dokl. Chem. (Engl. Transl.) 2004, 399, 207-210.
44. (j) Bill, E.; Bothe, E.; Chaudhuri, P.; Chlopek, K.; Herebian, D.; Kokatam, S.; Ray, K.; Weyhermüller, T.; Neese, F.; Wieghardt, K. Chem. Eur. J. 2005, 11, 204-224.
45. (k) Kahn, O.; Prins, R.; Reedijk, J.; Thompson, J. S. Inorg. Chem. 1987, 26, 3557-3561.
46. Cambridge Structural Database, Version 5.28, 2007.
47. (a) Shultz, D. A.; Bodnar, S. H.; Vostrikova, K. E.; Kampf, J. W. Inorg. Chem. 2000, 39, 6091-6093.
48. (b) Shultz, D. A.; Vostrikova, K. E.; Bodnar, S. H.; Koo, H.-J.; Whangbo, M.-H.; Kirk, M. L.; Depperman, E. C.; Kampf, J. W. J. Am. Chem. Soc. 2003, 125, 1607-1617.
49. (a) Ovcharenko, V.; Fokin, S.; Rey, P. Mol. Cryst. Liq. Cryst. 1999, 334, 109-119.
50. (b) Ovcharenko, V. I.; Fokin, S. V.; Romanenko, G. V.; Korobkov, I. V.; Rey, P. Russ. Chem. Bull. (Engl. Transl.) 1999, 48, 1519-1525.
51. (c) Hirel, C.; Vostrikova, K. E.; Pecaut, J.; Ovcharenko, V. I.; Rey, P. Chem. Eur. J. 2001, 7, 2007-2014.
52. (a) Boocock, D. G. B.; Darcy, R.; Ullman, E. F. J. Am. Chem. Soc. 1968, 90, 5945-5946.
53. (b) Ullman, E. F.; Osiecki, J. H.; Boocock, D. G. B.; Darcy, R. J. Am. Chem. Soc. 1972, 94, 7049-7059.
54. Abakumov, G. A.; Cherkasov, V. K.; Bubnov, M. P.; Ellert, O. G.; Rakitin, Y. V.; Zakharov, L. N.; Struchkov, Y. T.; Safyanov, Y. N. Russ. Chem. Bull. 1992, 41, 1813-1818.
55. Ovcharenko, I. V.; Shvedenkov, Yu. G.; Musin, R. N.; Ikorskii, V. N. J. Struct. Chem. 1999, 40, 29-34.
56. Frisch, M. J.; et al. Gaussian 98; Gaussian Inc.: Pittsburgh, PA, 1998.
57. (a) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
58. (b) Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652.
59. (a) Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033-1036.
60. (b) Wachters, A. J. H. IBM Technology Report RJ584, 1969.
61. (c) Bauschlicher, C. W.; Langhoff, S. R., Jr.; Barnes, L. A. J. Chem. Phys. 1989, 91, 2399-2411.
62. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/02/06, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact Karen Schuchardt for further information.
63. Davidson, E. R.; Feller, D. Chem. Rev. 1986, 86, 681-696.
64. Portmann, S.; Lüthi, H. P. CHIMIA 2000, 54, 766-770.
65. Abakumov, G. A.; Krashilina, A. V.; Cherkasov, V. K.; Eremenko, I. L.; Nefedov, S. E. Russ. Chem. Bull. 2001, 50, 2193-2199.
66. (a) Daul, C. A.; Ciofini, I.; Bencini, A. In Reviews of Modern Quantum Chemistry. Part II; Sen, K. D., Ed.; World Scientific, Singapore, 2002; pp 1247-1294.
67. (b) Noodleman, L.; Peng, C. Y.; Case, D. A.; Mouesca, J. M. Coord. Chem. Rev. 1995, 144, 199-244.
68. (c) Noodleman, L.; Norman, J. G., Jr. J. Chem. Phys. 1979, 70, 4903-4906.
69. (a) Shoji, M.; Koizumi, K.; Kitagawa, Y.; Kawakami, T.; Yamanaka, S.; Okumura, M.; Yamaguchi, K. Chem. Phys. Lett. 2006, 432, 343-347.
70. (b) Soda, T.; Kitagawa, Y.; Onishi, T.; Takano, Y.; Shigeta, Y.; Nagao, H.; Yoshioka, Y.; Yamaguchi, K. Chem. Phys. Lett. 2000, 319, 223-230.
71. (c) Yamaguchi, K.; Jensen, F.; Dorigo, A.; Houk, K. N. Chem. Phys. Lett. 1988, 149, 537-542.
72. (a) Herebian, D.; Wieghardt, K. E.; Neese, F. J. Am. Chem. Soc. 2003, 125, 10997-11005.
73. (b) Bencini, A.; Carbonera, C.; Totti, F. Chem. Eur. J. 2004, 10, 1472-1480.
74. Hay, P. J.; Thibeaut, J. C.; Hoffmann, R. J. Am. Chem. Soc. 1975, 97, 4884-4899.