A quantum chemical study of magnetic interactions in phenazine derivatives for chemical or photo-induced organic magnets

Synthetic Metals

Volumn 154, Issue 1-3, 2005, Pages 321-324

  Taniguchi, Takeshi ^a   Watazu, Yuji ^a   Shoji, Mitsuo ^a   Kawakami, Takashi ^a   Okumura, Mitsutaka ^a   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Ab initio MO calculation; Donor radical system; Effective exchange integral; Stable organic radicals

Indexed keywords

DERIVATIVES; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; ELECTRONS; FERROMAGNETIC MATERIALS; IONIZATION; MAGNETIC PROPERTIES; MAGNETS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

AB INITIO MO CALCULATION; DONOR-RADICAL SYSTEM; EFFECTIVE EXCHANGE INTEGRAL; STABLE ORGANIC RADICALS;

AROMATIC COMPOUNDS;

EID: 24644510344     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2005.07.080     Document Type: Conference Paper

References (19)

1. K. Yamaguchi, H. Namimoto, T. Fueno, T. Nogami, and Y. Shirota Chem. Phys. Lett. 166 1990 408
2. K. Yamaguchi, M. Okumura, T. Fueno, and K. Nakasuji Synth. Met. 41-43 1991 3631
3. T. Taniguchi, S. Nakano, T. Kawakami, and K. Yamaguchi Synth. Met. 137 2003 1261
4. T. Taniguchi, S. Nakano, T. Kawakami, and K. Yamaguchi Polyhedron 22 2003 2039
5. F. Matsuoka, Y. Yamashita, T. Kawakami, Y. Kitagawa, Y. Yoshioka, and K. Yamaguchi Polyhedron 20 2001 1169
6. T. Kawakami Int. J. Quant. Chem. 85 2001 619
7. T. Taniguchi, S. Nakano, T. Kawakami, Y. Yamashita, and K. Yamaguchi Mol. Cryst. Liq. Cryst. 379 2002 483
8. Y. Teki, S. Yamamoto, M. Nakatuji, and Y. Miura J. Am. Chem. Soc. 123 2001 294
9. K. Yamaguchi Chem. Phys. Lett. 33 1975 330
10. K. Yamaguchi Chem. Phys. Lett. 66 2 1979 395
11. K. Yamaguchi, Y. Takahara, and T. Fueno V.H. Smith Appl. Quant. Chem. 1986 D. Reidel 155
12. S. Yamanaka, T. Kawakami, H. Nagao, and K. Yamaguchi Chem. Phys. Lett. 231 1994 25
13. A.D. Becke Phys. Rev. A38 1998 3098
14. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B37 1988 785
15. S. Hiraoka, T. Okumoto, M. Kozaki, D. Shiomi, K. Sato, T. Takui, and K. Okada J. Am. Chem. Soc. 126 2004 58
16. K. Yamaguchi, M. Okumura, J. Maki, and T. Noro Chem. Phys. Lett. 207 1 1993 9
17. R.H. Friend, M. Miljak, and D. Jerome Phys. Rev. Lett. 40 1978 1048
18. S. Yamanaka, M. Okumura, H. Nagao, and K. Yamaguchi Chem. Phys. Lett. 233 1995 88
19. Gaussian 98, Revision A.6, 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, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, 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, C. Gonzalez, 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, 1998.