Biradical paradox revisited quantitatively: A theoretical model for self-associated biradical molecules as antiferromagnetically exchange coupled spin chains in solution

Journal of Physical Chemistry B

Volumn 116, Issue 3, 2012, Pages 1053-1059

  Kanzaki, Yuki ^a   Shiomi, Daisuke ^a   Sato, Kazunobu ^a   Takui, Takeji ^a  

^a Osaka Prefecture University   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETISM; COMPUTER SIMULATION; EXCHANGE INTERACTIONS; MOLECULES;

ANTIFERRO-MAGNETIC INTERACTIONS; BIRADICALS; ESR SPECTRA; ESR SPECTROSCOPY; EXCHANGE COUPLED; HYPERFINE COUPLING CONSTANTS; HYPERFINE SPLITTINGS; INTRAMOLECULAR EXCHANGE INTERACTIONS; NONCOVALENT; ONE DIMENSION; SPECTRAL SIMULATIONS; SPIN HAMILTONIAN; THEORETICAL MODELS;

ELECTRON SPIN RESONANCE SPECTROSCOPY;

EID: 84863011034     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp211391x     Document Type: Article

References (65)

1. Song, C.; Hu, K. N.; Joo, C. G.; Swager, T. M.; Griffin, R. G. J. Am. Chem. Soc. 2006, 128, 11385
2. Hu, K. N.; Song, C.; Yu., H. H.; Swager, M. T.; Griffin, R. G. J. Chem. Phys. 2008, 128, 052302
3. Matsuki, Y.; Maly, T.; Ouari, O.; Karoui, H.; Moigne, F. L.; Rizzato, E.; Lyubenova, S.; Herzfeld, J.; Prisner, T.; Tordo, P.; Griffin, R. G. Angew. Chem., Int. Ed. 2009, 48, 4996-5000
4. Sato, K.; Nakazawa, S.; Rahimi, R.; Ise, T.; Nishida, S.; Yoshino, T.; Mori, N.; Toyota, K.; Shiomi, D.; Yakiyama, Y.; Morita, Y.; Kitagawa, M.; Nakasuji, K.; Nakahara, M.; Hara, H.; Carl, P.; Höfer, P.; Takui, T. J. Mater. Chem. 2009, 19, 3739
5. Sugisaki, K.; Toyota, K.; Sato, K.; Shiomi, D.; Kitagawa, M.; Takui, T. Chem. Phys. Lett. 2009, 477, 369
6. Sugisaki, K.; Toyota, K.; Sato, K.; Shiomi, D.; Kitagawa, M.; Takui, T. ChemPhysChem 2010, 11, 3146
7. Sugisaki, K.; Toyota, K.; Sato, K.; Shiomi, D.; Kitagawa, M.; Takui, T. Phys. Chem. Chem. Phys. 2011, 13, 6939
8. Reitz, D. C.; Weissman, S. I. J. Chem. Phys. 1960, 33, 700
9. Luckhurst, G. R. Mol. Phys. 1966, 33, 543
10. Dupeyre, R, M.; Lemaire, H.; Rassat, A. J. Am. Chem. Soc. 1965, 87, 3771
11. Briere, R.; Dupeyre, R. M.; Lemaire, H.; Morat, C.; Rassat, A.; Rey, P. Bull. Soc. Chim. Fr. 1965, 3290
12. Harriman, J. E. Theoretical Foundations of Electron Spin Resonance; Academic Press: New York, 1978.
13. Weil, J. A.; Bolton, J. R.; Wertz, J. E. Electron Paramagnetic Resonance; Wiley: New York, 1994.
14. Borden, W. T. Diradicals; Wiley: NewYork, 1982; pp 195-258.
15. Likhtenstein, G. I. Spin Labeling Methods in Molecular Biology; Wiley Interscience: New York, 1976.
16. Eaton, G. R.; Eaton, S. S. Acc. Chem. Res. 1988, 21, 107
17. Eaton, S. S.; Eaton, G. R. Coord. Chem. Rev. 1978, 26, 207
18. Eaton, S. S.; Eaton, G. R. Coord. Chem. Rev. 1988, 83, 29
19. Takui, T; Matsuoka, H.; Furukawa, K.; Nakazawa, S.; Sato, K.; Shiomi, D. In EPR of Free Radicals in Solids: Trends in Methods and Applications; Lund, A.; Shiotani, M., Eds.; Kluwer Academic: Dordrecht, The Netherlands, 2003; Chapter 11, pp 407-490.
20. Shiomi, D.; Kaneda, C.; Kanaya, T.; Sato, K.; Takui, T. Appl. Magn. Reson. 2003, 23, 495
21. Chichibabin, A. E. Chem. Ber. 1907, 40, 1810
22. McConnel, H. M. J. Chem. Phys. 1960, 33, 1868
23. Reitz, D. C.; Weissman, S. I. J. Chem. Phys. 1960, 33, 700
24. Popp, F.; Bickelhaupt, F.; Maclean, C. Chem. Phys. Lett. 1978, 55, 327
25. Hart, W. J. V.; Oosterhoff, L. J. Mol. Phys. 1970, 18, 281
26. Brauer, H. D.; Stieger, H.; Hartmann, H. Z. Phys. Chem. Neve Folge 1969, 63, 50
27. Brauer, H. D.; Stieger, H.; Hyde, J. S.; Kispert, L. D.; Luckhurst, G. R. Mol. Phys. 1969, 17, 457
28. Montgomery, L. K.; Huffman, J. C.; Jurczak, E. A.; Grendze, M. P. J. Am. Chem. Soc. 1986, 108, 6004
29. Dupeyre, R. M.; Rassat, A.; Ronzaud, J. J. Am. Chem. Soc. 1974, 96, 6559
30. Veloso, D. P.; Rassat, A. J. Chem. (S) 1979, 106
31. Dormann, E.; Nowak, M. J.; Williams, K. A.; Angus., R. O.; Wudl, F. J. Am. Chem. Soc. 1987, 109, 2594
32. Barclay, T. M.; Cordes, A. W.; de Laat, R. H.; Goddard, J. D.; Haddon, R. C.; Jeter, D. Y.; Mawhinney, R. C.; Oakley, R. T.; Palstra, T. T. M.; Patenaude, G. W.; Reed, R. W.; Westwood, N. P. C J. Am. Chem. Soc. 1997, 119, 2633
33. Capiomont, A.; Chion, B.; Lajzerowicz, J. Acta Crystallogr., Sect. B 1971, 27, 322
34. Mendenhall, G. D.; Ingold, K. U. J. Am. Chem. Soc. 1973, 95, 6390
35. Genound, F.; Decorps, M. Mol. Phys. 1977, 34, 1583
36. Veloso, D. P.; Rassat, A. J. Chem. Res (S) 1979, 168
37. Kooser, R. G. Macromolecules 1987, 20, 435
38. Kurokawa, G.; Ishida, T.; Nogami, T. Chem. Phys. Lett. 2004, 392, 74
39. Nishimaki, H.; Mashiyama, S.; Yasui, M.; Nogami, T.; Ishida, T. Chem. Mater. 2006, 18, 3602
40. Tamura, M.; Shiomi, D.; Hosokoshi, Y.; Iwasawa, N.; Nozawa, K.; Kinoshita, M.; Sawa, H.; Kato, R. Mol. Cryst. Liq. Cryst. 1993, 232, 45
41. Hosokoshi, Y.; Tamura, M.; Shiomi, D.; Iwasawa, N.; Nozawa, K.; Kinoshita, M.; Katori, H. A.; Goto, T. Physica B 1994, 201, 497
42. Cogne, A.; Laugier, J.; Luneau, D.; Rey, P. Inorg. Chem. 2000, 39, 5510
43. Borden, W. T.; Iwamura, H.; Berson, J. A. Acc. Chem. Res. 1994, 27, 109
44. Dvolaitzky, M.; Chiarelli, R.; Rassat, A. Angew. Chem., Int. Ed. Engl. 1992, 104, 180
45. Kanno, F.; Inoue, K.; Koga, N.; Iwamura, H. J. Am. Chem. Soc. 1993, 115, 847
46. Fujita, J.; Tanaka, M.; Suemune, H.; Koga, N.; Matsuda, K.; Iwamura, H. J. Am. Chem. Soc. 1996, 118, 9347
47. Rajca, A.; Lu, K.; Rajca, S.; Ross, C. R., II Chem. Commun. 1999, 1249
48. Fang, S.; Lee, M.-S.; Hrovat, D. A.; Borden, W. T. J. Am. Chem. Soc. 1995, 117, 6727
49. Shultz, D. A.; Bodnar, S. H.; Lee, H.; Kampf, J. W.; Incarvito, C. D.; Rheingold, A. L. J. Am. Chem. Soc. 2002, 124, 10054
50. Okada, K.; Imakura, T.; Oda, M.; Kajiwara, A.; Kamachi, M.; Yamaguchi, M. J. Am. Chem. Soc. 1997, 119, 5740
51. Okada, K.; Imakura, T.; Oda, M.; Murai, H.; Baumgarten, M. J. Am. Chem. Soc. 1996, 118, 3047
52. Fang, S.; Lee, M.-S.; Hrovat, D. A.; Borden, W. T. J. Am. Chem. Soc. 1995, 117, 6727
53. W. T. Borden, W. T.; Iwamura, H.; Berson, J. A. Acc. Chem. Res. 1994, 27, 109
54. Mukai, K.; Nagai, H.; Ishizu, K. Bull. Chem. Soc. Jpn. 1975, 48, 2381
55. Ishida, T.; Iwamura, H. J. Am. Chem. Soc. 1991, 113, 4238
56. Chiarelli, R.; Gambarelli, S.; Rassat, A. Mol. Cryst. Liq. Cryst. 1997, 305, 455
57. Rajca, A.; Takahashi, M.; Pink, M.; Spagnol, G.; Rajca, S. J. Am. Chem. Soc. 2007, 129, 10159
58. Yoshida, M.; Shiraki, K.; Okubo, S.; Ohta, H.; Ito, T.; Takagi, H.; Kaburagi, M.; Ajiro, Y. Phys. Rev. Lett. 2005, 95, 117202 and references therein.
59. Shiomi, D.; Sato, K.; Takui, T. J. Phys. Chem. B 2001, 105, 2932
60. The ESR spectral simulations were done using the program package "EasySpin": Stoll, S.; Schweiger, A. J. Magn. Reson. 2006, 178, 42
61. Rajca, A.; Pink, M.; Rojsajjakui, T.; Lu, K.; Wang, H.; Rajca, S. J. Am. Chem. Soc. 2003, 125, 8534
62. Rajca, A.; Mukherjee, S.; Pink, M.; Rajca, S. J. Am. Chem. Soc. 2006, 128, 13497
63. Sawai, T.; Sato, K.; Ise, T.; Shiomi, D.; Toyota, K.; Morita, Y.; Takui, T. Angew. Chem., Int. Ed. 2008, 47, 3988
64. Ishizu, K.; Nagai, H.; Mukai, K.; Kohno, M.; Yamamoto, T. Chem. Lett. 1973, 1261
65. Kanzaki, Y.; Shiomi, D.; Sawai, T.; Sato, K.; Okada, K.; Takui, T. Presented at the 12th International Conference on Molecule-Based Magnets, Beijing, China, October 8-12, 2010.