Theoretical studies on ferrimagnetic behavior of TCNE and manganese porphyrin dimer

Polyhedron

Volumn 24, Issue 16-17, 2005, Pages 2720-2725

  Koizumi, K ^a   Shoji, M ^a   Kitagawa, Y ^a   Taniguchi, T ^a   Kawakami, T ^a   Okumura, M ^a   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Density functional theory; Magnetic interaction; Manganese porphyrin; TCNE

Indexed keywords

ANTIFERROMAGNETISM; EXCHANGE INTERACTIONS; FERRIMAGNETISM; MANGANESE; PORPHYRINS;

DENSITY-FUNCTIONAL-THEORY; FERRIMAGNETIC BEHAVIOR; MAGNETIC CHAINS; MAGNETIC INTERACTIONS; MANGANESE PORPHYRINS; MODEL COMPLEXES; ONE-DIMENSIONAL; PORPHYRIN DIMERS; TCNE; THEORETICAL STUDY;

DENSITY FUNCTIONAL THEORY;

EID: 27644471819     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2005.03.134     Document Type: Conference Paper

References (18)

1. A. Bohm, C. Vazquez, R.S. McLean, J.C. Calabrese, S.E. Kalm, J.L. Manson, A.J. Epstein, and J.S. Miller Inorg. Chem 35 1996 3083
2. D.K. Rittenberg, A.M. Arif, and J.S. Miller J. Chem. Soc., Dalton. Trans 2000 3939
3. W. Hibbs, D.K. Rittenberg, K. Sugiura, B.M. Burkhart, B.G. Morin, A.M. Arif, L. Liable-Sands, A.L. Rheingold, M. Sundralingam, A.J. Epstein, and J.S. Miller Inorg. Chem. 40 2001 1915
4. D.K. Rittenberg, and J.S. Miller Inorg. Chem 38 1999 4838
5. Y. Kitagawa, T. Soda, Y. Shigeta, S. Yamanaka, Y. Yoshioka, and K. Yamaguchi Int. J. Quant. Chem. 84 2001 592
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. Gompert, 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, M. Head-Gordon, E.S. Replogle, and J.A. Pople gaussian 98 1998 Gaussian, Inc. Pittsburgh, PA
7. R.G. Parr, and W. Yang Density functional theory of atoms and molecules 1989 Oxford University Press
8. S.H. Vosko, L. Wilk, and M. Nusair Can. J. Phys. 58 1980 1200
9. C. Lee, W. Wang, and R.G. Parr Phys. Rev. B 37 1988 785
10. Y. Kitagawa, T. Soda, Y. Shigeta, S. Yamanaka, Y. Yoshioka, and K. Yamaguchi Int. J. Quant. Chem. 84 2001 592
11. H. Tatewaki, and S. Huzinaga J. Chem. Phys. 71 1979 4339
12. M. Nishino, Y. Yoshioka, K. Yamaguchi, K. Mashima, K. Tani, and A. Nakamura J. Phys. Chem. A 101 1997 705
13. K. Yamaguchi R. Carto M. Klobukoeski Self-Consistent field theory and applications 1990 Elsevier Amsterdam 727
14. C.E. Shannon Bell Syst. Tech. J. 27 1948 379
15. J.C. Ramirez, C. Soriano, R.O. Esquivel, R.P. Sagar, M. Ho, and V.H. Smith Jr. Phys. Rev. A 56 1997 4477
16. Y. Kitagawa, T. Kawakami, and K. Yamaguchi Mol. Phys. 100 2002 1829
17. K. Yamaguhi, and T. Fueno Chem. Phys. 19 1977 35
18. K. Koizumi, M. Shoji, Y. Nishiyama, Y. Maruno, Y. Kitagawa, K. Soda, S. Yamanaka, M. Okumura, and K. Yamaguchi Int. J. Quant. Chem. 100 2004 943