Theoretical studies on electronic structures and magnetic interactions of K4[Pt2(pop)4X] · 2H2O (X = Cl, Br) complexes

Polyhedron

Volumn 28, Issue 9-10, 2009, Pages 1668-1671

  Kitagawa, Y ^a   Ito, M ^a   Nakanishi, Y ^a   Saito, T ^a   Yamada, S ^a   Kawakami, T ^a   Okumura, M ^a   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

DFT calculation; Effective exchange integrals (J); K4 Pt2(pop)4X 2H2O (X = Cl, Br); Magnetic interaction; MMX

Indexed keywords

BROMINE COMPOUNDS; CHAINS; COMPLEXATION; EXCHANGE INTERACTIONS; GROUND STATE; PLATINUM COMPOUNDS;

DFT CALCULATION; EFFECTIVE EXCHANGE INTEGRAL (J); EFFECTIVE EXCHANGE INTEGRALS; ELECTRONIC.STRUCTURE; ENERGY; J VALUE; K4[PT2(POP)4X] · 2H2O (X = CL, BR); MAGNETIC INTERACTIONS; MMX; THEORETICAL STUDY;

ELECTRONIC STRUCTURE;

EID: 67349240123     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2008.10.037     Document Type: Article

References (24)

1. Bera J.K., and Dunbar K.R. Angew. Chem., Int. Ed. 41 (2002) 23
2. Bellitto C., Dessy G., and Fares U. Inorg. Chem. 24 (1985) 2815
3. Bellitto C., Flamini A., Gastaldi L., and Scaramuzza L. Inorg. Chem. 24 (1983) 444
4. Yamashita M., Wada Y., Toriumi K., and Mitani T. Mol. Cryst. Liq. Cryst. 216 (1992) 207
5. Mitsumi M., Murase T., Kishida H., Yoshinari T., Ozawa Y., Toriumi K., Sonoyama T., Kitagawa H., and Mitani T. J. Am. Chem. Soc. 123 (2001) 11179
6. Kobayashi A., Kitagawa H., Ikeda R., Kitao S., Seto M., Mitsumi M., and Toriumi K. Synth. Met. 135-136 (2003) 405
7. Yamashita M., and Toriumi T. Inorg. Chem. Acta 178 (1990) 143
8. Yamashita M., Miya S., Kawashima T., Manabe T., Sonoyama T., Kitagawa H., Mitani T., Okamoto H., and Ikeda R. J. Am. Chem. Soc. 121 (1999) 2321
9. Kitagawa H., Onodera N., Sonoyama T., Yamamoto M., Fukawa M., Mitani T., Seto M., and Maeda Y. J. Am. Chem. Soc. 121 (1999) 10068
10. Kumoo M., and Clark R. Inorg. Chem. 24 (1985) 4420
11. Kimura N., et al. Chem. Phys. Lett. 220 (1994) 40
12. Matsuzaki H., Kishida H., Takizawa K., Yamashita M., and Okamoto H. Synth. Met. 135-136 (2003) 607
13. Matsuzaki H., Matsumoto T., Kishida H., Takizawa K., Miyasaka H., Sugiura K., Yamashita M., and Okamoto H. Phys. Rev. Lett. 90 (2003) 046401
14. Nakano S., Kitagawa Y., Kawakami T., and Yamaguchi K. Polyhedron 22 (2003) 2027
15. Kitagawa Y., Shoji M., Koizumi K., Kawakami T., Okumura M., and Yamaguchi K. Polyhedron 26 (2007) 2154
16. Wadt W.R., and Hay P.J. J. Chem. Phys. 82 (1985) 299
17. Becke A.D. J. Chem. Phys. 98 (1993) 5648
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, N. Rega, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, 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, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, gaussian 98, Gaussian, Inc., Pittsburgh, PA, 2002.
19. In: Gatteschi D., Kahn O., Miller J.S., and Palacio F. (Eds). Magnetic Molecular Materials (1991), Kluwer Academic Publishers, Dordrecht
20. In: Kahn O. (Ed). Magnetism: A Supermolecular Function. NATO ASI Series C vol. 484 (1996), Kluwer Academic Publishers, Dordrecht
21. In: Coronado E., Dekhais P., Gatteschi D., and Miller J.S. (Eds). Molecular Magnetism: From Molecular Assemblies to the Devices. NATO ASI Series E vol. 321 (1996), Kluwer Academic Publishers, Dordrecht
22. Kawakami T., Yamanaka S., Yamada S., Mori W., and Yamaguchi K. In: Turnbull M.M., Sugimoto T., and Thompson L.K. (Eds). Molecular-Based Magnetic Materials, Theory, Technique and Applications. ACS Symposium Series 644 (1996), American Chemical Society, Washington, DC 30
23. Yamaguchi K. In: Carbeó R., and Klobukowski M. (Eds). Self-Consistent Field Theory and Applications. Studies in Physical and Theoretical Chemistry 70 (1990), Elsevier, Amsterdam-Oxford-New Tork-Tokyo 727
24. Kitagawa Y., Saito T., Ito M., Shoji M., Koizumi K., Yamanaka S., Kawakami T., Okumura M., and Yamaguchi K. Chem. Phys. Lett. 442 (2007) 445