Calculation of the electronic structure and spectrum of the dinuclear [(NH3)5Ru-(4,4′-Bipyridine)-Ru(NH3) 5]6+ complex by the configuration interaction method using the basis set of orbitals localized on fragments

Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya

Volumn 23, Issue 4, 1997, Pages 256-265

  Sizova, O V ^a   Ivanova, N V ^a   Baranovskii, V I ^a   Panin, A I ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000302268     PISSN: 10703284     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (21)

1. Sauvage, J.P., Colin, J.P., Chambron, J.C., et al., Chem. Rev., 1994, vol. 94, no. 4, p. 993.
2. Sizova, O.V., Baranovskii, V.I., Ivanova, N.V., and Panin, A.I., Koord. Khim., 1997, vol. 23, no. 3, p. 214.
3. Logan, J., Newton, M.D., and Noell, J.O., Int. J. Quantum Chem., Symposium, no. 18, 1984, p. 21.
4. Davidson, E.D. and Borden, W.T., J. Phys. Chem., 1983, vol. 87, no. 24, p. 4783.
5. Goscinski, O., Int. J. Quantum Chem., Symposium, no. 19, 1988, p. 51.
6. Hay, P.J., Tibeault, J.C., and Hoffmann, R.H., J. Am. Chem. Soc., 1975, vol. 97, no. 17, p. 4884.
7. Woitellier, S., Launay, J.P., and Jaochim, C., Chem. Phys., 1989, vol. 131, nos. 2-3, p. 481.
8. Sizova, O.V., Ivanova, N.V., Baranovskii, V.I., and Nikol'skii, A.B., Zh. Strukt. Khim., 1994, vol. 35, no. 4, p. 12.
9. Panin, A.I. and Sizova, O.V., J. Comput. Chem., 1996, vol. 17, no. 2, p. 178.
10. Sizova, O.V., Panin, A.I., Baranovskii, V.I., and Ivanova, N.V., Zh. Strukt. Khim., 1996, vol. 37, no. 2, p. 195.
11. Sizova, O.V., Panin, A.I., Baranovskii, V.I., and Ivanova, N.V., Zh. Strukt. Khim., 1996, vol. 37, no. 2, p. 206.
12. Cumper, C.W.N., Ginman, R.F.A., and Vogel, A.I., J. Chem. Soc., 1962, no. 4, p. 1188.
13. Schmidt, M.W., Baldrige, K.K., Boatz, J.A., et al., J. Comput. Chem., 1993, vol. 14, p. 1347.
14. Leont'ev, V.B., Otroshchenko, O.S., Mangutova, Yu.S., and Sadykov, A.S., Zh. Obshch. Khim., 1965, vol. 35, no. 2, p. 297.
15. McAlpine, R.D., J. Mol. Spectrosc., 1971, vol. 38, no. 3, p. 441.
16. Carsky, P., Hunig, S., Stemmler, I., and Scheutzow, D., Liebigs Ann. Chem., 1980, no. 2, p. 291.
17. Sadley, J., Polempiryczne methody chemii kwantowej CNDO, INDO, NDDO (Semiempirical Quantum-Chemical Methods CNDO, INDO, NDDO), Warszawa: Panstowe Wydawnictwo Naukowe, 1977.
18. Cory, M.C. and Zerner, M.C., Chem. Rev., 1991, vol. 91, no. 5, p. 813.
19. Wilson, S, Electron Correlation in Molecules, Oxford: Clarendon, 1984.
20. Translated under the title Elektronnye korrelyatsii v molekulakh, Moscow: Mir, 1987.
21. Lehn, J., Angew. Chem. Int. Ed. Engl., 1988, vol. 27, no. 1, p. 89.