Isotropic and antisymmetric double-exchange, zero-field, Zeeman, and hyperfine splittings in trinuclear valence-delocalized [Cu3 7+] clusters

Inorganic Chemistry

Volumn 45, Issue 22, 2006, Pages 9096-9106

  Belinsky, Moisey I ^a  

^a TEL AVIV UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER;

ARTICLE; CHEMISTRY; QUANTUM THEORY;

COPPER; QUANTUM THEORY;

EID: 33751403845     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic060732d     Document Type: Article

References (132)

1. (a) Solomon, E. I.; Sandaram, U. H.; Machonkin, T. E. Chem. Rev. 1996, 96, 2563.
2. (b) Solomon, E. I.; Baldwin, M. J.; Lowery, M. D. Chem. Rev. 1992, 92, 521.
3. (a) Lee, S. K.; George, S. D.: Antholine, W. E.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 2002, 124, 6180.
4. (b) Quinatar, L.; Yoon, J.; Aznar, C. P.; Palmer, A. E.; Andersson, K. K., Britt, R. D.; Solomon, E. I. J. Am. Chem. Soc. 2005, 127, 13832.
5. (c) Oganesyan, V. S.; Rasmussen, T.; Fairhurst, S.; Thomson, A. J. Dalton Trans. 2004, 996.
6. (d) Chen, P.; George, S. D.; Carbito, I.; Antholine, W. E.; Moura, J. J. G.; Moura, I.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 2002, 124, 744.
7. (e) Gorelsky, S. I.; Ghosh, S.; Solomon, E. I. J. Am. Chem. Soc. 2006, 128, 278.
8. (a) Kahn, O. Molecular Magnetism; VCH: New York, 1993.
9. (b) Molecular Magnetism: from Molecular Assemblies to the Devices; Coronado, E., Delhaes, P., Gatteschi, D., Miller, J. S., Eds.; NATO Advanced Study Institute Series 321; Kluwer: Dordrecht, The Netherlands, 1996.
10. (c) Mixed Valency Systems: Applications in Chemistry, Physics and Biology; Prassides, K., Ed.; NATO Advanced Study Institute Series 343; Kluwer: Dordrecht, The Netherlands, 1992.
11. Cole, A. P.; Root, D. E.; Mukherjee, P.; Solomon, E. I.; Stack, T. D. P. Science 1996, 273, 1848.
12. Root, D. E.; Henson, M. J.; Machonkin, T.; Mukherjee, P.; Stack, T. D. P.; Solomon, E. I. J. Am. Chem. Soc. 1998, 120, 4982.
13. Brown, E. C.; York, J. T.; Antholine, W. E.; Ruiz, E.; Alvarez, S.; Tolman, W. B. J. Am. Chem. Soc. 2005, 127, 13752.
14. Mezei, G.; McGrady, J. E.; Raptis, R. G. Inorg. Chem. 2005, 44, 7271.
15. (a) Daul, C.; Fernandes-Ceballos, S.; Ciofini, I.; Rauzy, C.; Schläpfer, Chem. - Eur. J. 2002, 8, 4392.
16. (b) Berces, A. Chem. - Eur. J. 1998, 4, 1297.
17. Anderson, P. W.; Hasegawa, H. Phys. Rev. 1955, 100, 675.
18. Girerd, J.-J. J. Chem. Phys. 1983, 79, 4788.
19. (a) Noodleman, L.; Baerends, E. J. J. Am. Chem. Soc. 1984, 106, 2316.
20. (b) Noodleman, L.; Case, D. A. Adv. Inorg. Chem. 1992, 38, 423.
21. Blondin, G.; Girerd, J.-J. Chem. Rev. 1990, 90, 1359.
22. Tsukerblat, B. S.; Belinsky, M. I.; Fainzilberg, V. E. Sov. Chem. Rev. 1987, 9, 337.
23. (a) Ding, X.-Q.; Bominaar, E. L.; Bill, E.; Winkler, H.; Trautwein, A. X.; Drücke, S.; Chaudhuri, P.; Wieghardt, K. J. Chem. Phys. 1992, 92, 178.
24. (b) Drücke, S.; Chaudhuri, P.; Pohl, K.; Wieghardt, K.; Ding, X.-Q.; Bill, E.; Sawaryn, A.; Trautwein, A. X.; Winkler, H.; Gurman, S. J. J. Chem. Soc., Chem. Commun. 1989, 59.
25. (c) Ding, X.-Q.; Bominaar, E. L.; Bill, E.; Winkler, H.; Trautwein, A. X.; Drücke, S.; Chaudhuri, P.; Wieghardt, K. Hyperfine Interact. 1990, 53, 311.
26. (a) Gamelin, D. R.; Bominaar, E. L.; Kirk, M. L.; Wieghardt, K.; Solomon, E. I. J. Am. Chem. Soc. 1996, 118, 8085.
27. (b) Gamelin, D. R.; Bominaar, E. L.; Mathoniere, C.; Kirk, M. L.; Wieghardt, K.; Girerd, J.-J.; Solomon, E. I. Inorg. Chem. 1996, 35, 4323.
28. Knapp, M. J.; Krzystek, J.; Brunel, L.-C.; Hedrickson, D. N. Inorg. Chem. 1999, 38, 3321.
29. Peng, G.; van Elp, J.; Jang, H.; Que, L., Jr.; Armstrong, W. H.; Cramer, S. P. J. Am. Chem. Soc. 1995, 117, 2515.
30. Hagadorn, J. R.; Que, L., Jr.; Tolman, W. B.; Prisecaru, I.; Münck, E. J. Am. Chem. Soc. 1999, 121, 9760.
31. (a) Dutta, S. J.; Ensling, J.; Werner, R.; Flörke, U.; Haase, W.; Gütlich, P.; Nag, K. Angew. Chem., Int. Ed. Engl. 1997, 36, 152.
32. (b) Saal, C.; Bohm, M.; Haase, W. Inorg. Chim. Acta 1999, 291, 82.
33. (c) Ostrovsky, S. M.; Werner, R.; Nag, K.; Haase, W. Chem. Phys. Lett. 2000, 320, 295.
34. (a) Lee, D.; Krebs, K.; Huynh, H.; Hendrich, M. P.; Lippard, S. J. J. Am. Chem. Soc. 2000, 122, 5000.
35. (b) Lee, D.; DuBois, J. L.; Piers, B.; Hedman, B.; Hodgson, K. O.; Hendrich, M. P.; Lippard, S. J. Inorg. Chem. 2002, 41, 3172.
36. (a) Borshch, S. A; Bominaar, E. L.; Blondin, G.; Girerd, J.-J. J. Am. Chem. Soc. 1993, 115, 5155.
37. (b) Robert, V.; Borshch, S. A.; Bigot, B. Chem. Phys. Lett. 1995, 236, 491.
38. (a) Barone, V.; Bencini, A.; Ciofini, I.; Daul, C. A.; Totti, F. J. Am. Chem. Soc. 1998, 120, 8357.
39. (b) Ciofini, I.; Daul, C. A. Coord. Chem. Rev. 2003, 238-239, 187.
40. Carissan, Y.; Heully, J.-L.; Alary, F.; Daudey, J.-P. Inorg. Chem. 2004, 43, 1411.
41. Belinsky, M. I. Chem. Phys. 1999, 240, 303.
42. Coropceanu, V.; Bredas, J. L.; Winkler, H.; Trauwein, A. X. J. Chem. Phys. 2002, 116, 8152.
43. (a) Crouse, B. R.; Meyer, J.; Johnson, M. K. J. Am. Chem. Soc. 1995, 117, 9612.
44. (b) Achim, C.; Golinelli, M.-P.; Bominaar, E. L.; Meyer, J.; Münck, E. J. Am. Chem. Soc. 1996, 118, 8168.
45. (c) Achim, C.; Bominaar, E. L.; Meyer, J.; Peterson, J.; Münck, E. J. Am. Chem. Soc. 1999, 121, 3704.
46. (a) Beinert, H.; Holm, R. H.; Münck, E. Science 1997, 277, 653.
47. (b) Beinert, H. J. Biol. Inorg. Chem. 2000, 5, 2.
48. (c) Holm, R. H. Adv. Inorg. Chem. 1992, 38, 1.
49. Holm, R. H.; Kennepohl, P.; Solomon, E. I. Chem. Rev. 1996, 96, 2239.
50. (a) Papaefthymiou, V.; Girerd, J.-J.; Moura, L.; Moura, J.-J. G.; Münck, E. J. Am. Chem. Soc. 1987, 109, 4703.
51. (b) Girerd, J.-J.; Papaefthymiou, V.; Surerus, K. K.; Münck, E. Pure Appl. Chem. 1989, 61, 805.
52. (c) Bertini, I.; Ciurli, S.; Luchinat, C. Struct. Bonding 1995, 83, 1.
53. Robin, M. B.; Day, P. Adv. Inorg. Radiochem. 1967, 10, 247.
54. Belinsky, M. I. Fiz. Tverd. Tela 1985, 27, 1761;
55. Sov. Phys. Solid State 1985, 27, 1057.
56. Belinsky, M. I. Mol. Phys. 1987, 60, 793.
57. (a) Pourrot, G.; Coronado, E.; Drillon, M.; Geores, R. Chem. Phys. 1986, 104, 73.
58. (b) Gomes-Garsia, G. J.; Coronado, E.; Pourrot, G. J. Appl. Phys. 1990, 67, 5992.
59. (c) Gomes-Garsia, G. J.; Coronado, E.; Pourrot, G.; Georges, R. Phys. B: Condens. Matter 1992, 182, 18.
60. (a) Borras-Almenar, J. J.; Clemente, J. M.; Coronado, E.; Palii, A. V.; Tsukerblat, B. S.; Georges, R. J. Chem. Phys. 1996, 105, 6892.
61. (b) Borras-Almenar, J. J.; Coronado, E.; Georges, R.; Palii, A. V.; Tsukerblat, B. S. Chem. Phys. Lett. 1996, 249, 7.
62. (c) Borras-Almenar, J. J.; Coronado, E.; Tsukerblat, B. S. Chem. Phys. 1993, 177, 1.
63. (a) Borras-Almenar, J. J.; Coronado, E.; Georges, R.; Palii, A. V.; Tsukerblat, B. S. Phys. Lett. A 1996, 220, 342.
64. (b) Boldyrev, S. I.; Gamurar, V. Ya.; Tsukerblat, B. S.; Palii, A. V. Mol. Phys. 1994, 81, 621.
65. (c) Palii, A. V.; Belinsky, M. I.; Tsukerblat, B. S. Theor. Exp. Chem. 1989, 25, 329.
66. Gatteschi, D.; Tsukerblat, B. S. Chem. Phys. 1996, 202, 23.
67. (a) Robert, V.; Borshch, S. A.; Bigot, B. J. Phys. Chem. 1996, 100, 580.
68. (b) Borshch, S. A.; Chibotaru, L. F. Chem. Phys. 1989, 135, 375.
69. (a) Belinsky, M. I. Chem. Phys. 1997, 215, 7.
70. (b) Belinsky, M. I. Chem. Phys. 2001, 263, 279.
71. Beissel, T.; Birkelbach, F.; Bill, E.; Glaser, T.; Kesting, F.; Krebs, C.; Weyhermiller, T.; Weinghardt, K.; Butzlaff, C.; Trantwein, A. X. J. Am. Chem. Soc. 1996, 118, 12376.
72. (a) Beckett, R.; Colton, R.; Hoskins, B. F.; Martin, R. L.; Vince, D. G. Aust. J. Chem. 1969, 22, 2527.
73. (b) Butcher, R. J.; O'Connor, C. J.; Sinn, E. Inorg. Chem. 1981, 20, 537.
74. (a) Griffith, J. S. Struct. Bonding (Berlin) 1972, 10, 87.
75. (b) Sinn, E. Coord. Chem. Rev. 1970, 5, 313.
76. Tsukerblat, B. S.; Belinsky, M. I. Magnetochemistry and Radiospectroscopy of Exchange Clusters; Shtiintsa: Kishinev, USSR, 1983.
77. (a) Belinsky, M. I.; Tsukerblat, B. S.; Ablov, A. V. Dokl. Phys. Chem. 1972, 207, 911.
78. (b) Belinsky, M. I.; Tsukerblat, B. S.; Ablov, A. V. Fiz. Tverd. Tela 1974, 16, 989;
79. Sov. Phys. Solid State 1974, 16, 639.
80. (c) Belinsky, M. I.; Tsukerblat, B. S.; Ablov, A. V. Phys. Status Solidi B 1972, 51, K71.
81. (d) Belinsky, M. I.; Tsukerblat, B. S.; Ablov, A. V. Mol. Phys. 1974, 28, 283.
82. (a) Tsukerblat, B. S.; Novotortsev, V. M.; Kuyavskaya, B. Ya.; Belinsky, M. I.; Ablov, A. V.; Bazhan, A. N.; Kalinnikov, V. T. Sov. Phys. JEPT Lett. 1974, 19, 277.
83. (b) Tsukerblat, B. S.; Kuyavskaya, B. Ya.; Belinsky, M. I.; Ablov, A. V.; Novotortsev, V. M.; Kalinnikov, V. T. Theor. Chim. Acta 1975, 38, 131.
84. (a) Belinsky, M. I. Inorg. Chem. 2004, 43, 739.
85. (b) Shames, A. I.; Belinsky, M. I. Phys. Status Solidi B 1997, 203, 235.
86. (a) Banci, L.; Bencini, A.; Gatteschi, D. Inorg. Chem. 1983, 22, 2681.
87. (b) Banci, L.; Bencini, A.; Dei, A. Gatteschi, D. Inorg. Chem. 1983, 22, 4018.
88. (c) Padilla, J.; Gatteschi, D.; Chaudhuri, P. Inorg. Chim. Acta 1997, 260, 217.
89. Bencini, A.; Gatteschi, D. EPR of Exchanged-Coupled Systems; Springer; Berlin, 1990.
90. (a) Chandhuri, P.; Karpenshtein, I.; Winter, M.; Bultzlaff, G.; Bill, E.; Trautwein, A. X.; Flörke, U.; Haupt, H.-J. J. Chem. Soc., Chem. Commun. 1992, 321.
91. (b) Colacio, E.; Dominguez-Vera, J. M.; Escuer, A.; Klinga, M.; Kiverkaes, R.; Romerosa, A. J. Chem. Soc., Dalton Trans. 1995, 343.
92. (c) Hulsbergen, F. B.; Hoedt, R. W. H.; Verschooz, G. C.; Reedijk, J.; Spek, L. A. J. Chem. Soc., Dalton Trans. 1983, 539.
93. (a) Costes, J.-P.; Dahan, F.; Lanrent, J.-P. Inorg. Chem. 1986, 25, 413.
94. (b) Kwiatkowski, M.; Kwiatkowski, E.; Olechnowicz, A.; Ho, D. M.; Deutsch, E. Inorg. Chem. 1988, 150, 65.
95. (c) Azuma, M.; Odaka, T.; Takano, M.; Vander Griend, D. A. Poeppelmeier, K. R.; Narumi, Y.; Kindo, K.; Mizuno, Y.; Maekawa, S. Phys. Rev. B 2000, 62, R3588.
96. (d) Angaridis, P. A.; Baran, P.; Boča, Cervantes-Lee, F.; Haase, W.; Mezei, G.; Raptis, R. G.; Werner, R. Inorg. Chem. 2002, 41, 2219.
97. (a) Kodera, M.; Tachi, Y.; Kita, T.; Kobushi, H.; Sumi, Y.; Kano, K.; Shiro, M.; Koikawa, M.; Tokii, T.; Ohba, M.; Okawa, H. Inorg. Chem. 2000, 39, 226.
98. (b) Lopes-Sandoval, H.; Contreras, R.; Escuer, A.; Vicente, R.; Bernes, S.; Moth, H.; Leigh, G. J.; Barba-Berhens, N. J. Chem. Soc., Dalton Trans. 2002, 2648.
99. (c) Spiccia, L.; Graham, B.; Hearn, M. T. W.; Lasarev, G.; Moubaraki, B.; Murray, K. S.; Tiekink, E. R. T. J. Chem. Soc., Dalton Trans. 1997, 4089.
100. (d) Nguyen, H.-H.; Shiemke, A. K.; Jacobs, S. J.; Hales, B. J.; Lingstrom, M. E.; Chan, S. I. J. Biol. Chem. 1994, 269, 14995.
101. (a) Cage, B.; Cotton, F. A.; Dalal, N. S.; Hillard, E. A.; Rakvin, B.; Ramsey, C. M. J. Am. Chem. Soc. 2003, 125, 5270.
102. (b) Clérac, R.; Cotton, F. A.; Dunbar, K. R.; Hillard, E. A.; Petrukhina, M. A.; Smuckler, B. W. C. R. Acad. Sci., Ser. IIc: Chim. 2001, 4, 315.
103. Cole, J. L.; Clark, P. A.; Solomon, E. I. J. Am. Chem. Soc. 1990, 112, 9534.
104. (a) Ferrer, S.; Lloret, F.; Bertomeu, I.; Alzuel, G.; Borras, J.; Garsia-Granda, S.; Liu-Gonsalez, M.; Haasnoot, G. Inorg. Chem. 2002, 41, 5821.
105. (b) Ferrer, S.; Haasnoot, G.; Reedijk, J.; Muller, E.; Cindi, M. B.; Lanfranchi, M.; Lanfredi, A. M. M.; Ribas, J. Inorg. Chem. 2000, 39, 1859.
106. Liu, X.; Miranda, M. H.; McInnes, T. J. L.; Kilner, C. A.; Harlow, M. A. Dalton. Trans. 2004, 59.
107. (a) Yoon, J.; Mirica, L. M.; Stack, T. D. P.; Solomon, E. I. J. Am. Chem. Soc. 2004, 126, 12586.
108. (b) Mirica, L. M.; Stack, T. D. P. Inorg. Chem. 2005, 44, 2131.
109. (c) Yoon, J.; Solomon, E. I. Inorg. Chem. 2005, 44, 8076.
110. Dzyaloshinsky, I. J. Phys. Chem. Solids 1958, 4, 241.
111. Moriya, T. Phys. Rev. Lett. 1960, 4, 228;
112. Phys. Rev. 1960, 120, 91.
113. Griffith, J. S. The Theory of Transition Metal Ions; Cambridge University Press: Cambridge, U.K., 1964.
114. Sugano, S.; Tanabe, Y.; Kamimura, H. Multiplets of Transition-Metal Ions in Crystals; Academic Press: New York and London, 1970.
115. Abragam, A.; Bleaney, B. Electron Paramagnetic Resonance of Transition Ions; Clarendon Press: Oxford, U.K., 1970.
116. DeKock, R. L.; Gray, H. B. Chemical Structure and Bonding; The Benjamin/Cummings Publishing Company: San Francisco, CA, 1980.
117. Kanamori, J. In Magnetism; Rado, G. T., Suhl, H., Eds.; Academic Press: New York, 1963; Vol. 1, p 127.
118. Belinsky, M. I. Chem. Phys. 2003, 288, 137.
119. Belinsky, M. I. Chem. Phys. 2003, 297, 1.
120. (a) Belinsky, M. I. Phys. Status Solidi A 2004, 201, 3293.
121. (b) Belinsky, M. I. J. Magn. Magn. Mater. 2004, 272-276, e775.
122. Belinsky, M. I. Chem. Phys. 2006, 325, 313, 326.
123. Belinsky, M. I. Chem. Phys. 2004, 308, 27.
124. (a) Koshibae, W.; Ohta, Y.; Maekawa, S. Phys. Rev. B 1993, 47, 3391.
125. (b) Koshibae, W.; Ohta, Y.; Maekawa, S. Phys. Rev. B 1994, 50, 3767.
126. (c) Bonesteel, N. E.; Rice, T. M.; Zhang, F. C. Phys. Rev. Lett. 1992, 68, 2684.
127. (a) Shekhtman, L.; Entin-Wohlman, O.; Aharony, A. Phys. Rev. Lett. 1992, 69, 836.
128. (b) Shekhtman, L.; Aharony, A.; Entin-Wohlman, O. Phys. Rev. B 1993, 47, 174.
129. Owen, J.; Harris, E. A. In Electron Paramagnetic Resonance; Geshwind, S., Ed.; Plenum Press: New York, 1972.
130. (a) Carrington, A.; McLachlan, A. D. Introduction to Magnetic Resonance; Chapman & Hall: London, 1978. (
131. b) Weil, J.; Bolton, J.; Wertz, J. Electron Paramagnetic Resonance; Wiley-Interscience: New York, 1994.
132. (c) Mabbs, F. E.; Collison, D. Electron Paramagnetic Resonance of d-transition Metal Compounds; Elsevier: New York, 1992.