The electronic structure and magnetic property of μ-hydroxo bridged manganese porphyrin dimer

European Physical Journal D

Volumn 38, Issue 1, 2006, Pages 193-197

  Koizumi, K ^a   Shoji, M ^a   Kitagawa, Y ^a   Ohoyama, H ^a   Kasai, T ^a   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; PORPHYRINS;

BOND ANGLE; EFFECTIVE EXCHANGE INTEGRALS; ELECTRONIC.STRUCTURE; HYBRID DFT METHOD; MANGANESE PORPHYRINS; MANGANESE(III); OH -; ORBITAL OVERLAP; OVERLAP EFFECT; PORPHYRIN DIMERS;

MANGANESE COMPOUNDS;

EID: 33644997881     PISSN: 14346060     EISSN: 14346079     Source Type: Journal    
DOI: 10.1140/epjd/e2006-00019-1     Document Type: Conference Paper

References (18)

1. Y. Naruta, M. Sasayama, T. Sasaki, Angew. Chem. Int. Ed. Engl. 33, 1839 (1994)
2. Y. Naruta, Seibutu to kinzoku (Kuba pro, Tokyo, 2001), p. 70 (in Japanese)
3. K. Koizumi, M. Shoji, Y. Kitagawa, T. Taniguchi, T. Kawakami, M. Okumura, K. Yamaguchi, Polyhedron 24, 2720 (2005)
4. B. Chang, F. Cukiernik, P.H. Pries, J.C. Marchon, W.R. Scheldt, Inorg. Chem. 34, 4627 (1995)
5. K. Koizumi, M. Shoji, Y. Nishiyama, Y. Maruno, Y. Kitagawa, T. Soda, S. Yamanaka, M. Okumura, K. Yamaguchi, Int. J. Quant. Chem. 100, 943 (2004)
6. Y. Kitagawa, T. Soda, Y. Shigeta, S. Yamanaka, Y. Yoshioka, K. Yamaguchi, Int. J. Quant. Chem. 84, 592 (2001)
7. Y. Kitagawa, T. Kawakami, K. Yamaguchi, Mol. Phys. 100, 1829 (2002)
8. K. Yamaguchi, K. Ohta, S. Yabushita, T. Fueno, Chem. Phys. Lett. 49, 555 (1977)
9. J.K. Labanowski, J.W. Andzelm, Density Functional Methods in Chemistry (Springer, New York, 1991)
10. R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989)
11. A. Becke, Phys. Rev. A 38, 3098 (1988)
12. S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58, 1200 (1980)
13. C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1988)
14. K. Yamaguchi, M. Okumura, K. Takeda, S. Yamanaka, Int. J. Quant. Chem. 27, 5011 (1993)
15. M. Nishio, Y. Yoshioka, K. Yamaguchi, K. Mashima, K. Tani, A. Nakamura, J. Phys. Chem. A 101, 705 (1997)
16. K. Yamaguchi, Y. Takahara, T. Fueno, Appl. Quant. Chem. 155 (1986)
17. K. Yamaguchi, Chem. Phys. Lett. 68, 477 (1979)
18. 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. Oritz, 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, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Gaussian Inc, Pittsburgh, PA (1998)