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Regularities of the trans-Influence of Ligand L on the Energy Characteristics of the Metastable Isomers of trans-[RuX4(NO)L]q (L = H2O, NH3, Pyrazine, Cl−, OH−, CN−, NO −2 ; X = Cl−, NH3)

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Abstract

The geometric structures of the ground state and metastable isomers of the nitroso complexes trans-[RuCl4(NO)L]q (L = H2O, NH3, pyrazine (Pz), q = −1; Cl−, OH−, CN−, NO −2 , q = −2) and cis[RuCl4(NO)L]q (L = Pz, q = −1) were optimized in terms of the density functional theory. The variation of the trans-ligand L influences the relative energy of the metastable isomer with a side NO coordination. The presence of π-acceptor substituents in the trans-ligand L decreases the energy.

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REFERENCES

  1. Coppens, Ph., Novozhilova, I., and Kovalevsky, A., Chem. Rev., 2002, vol. 102, no.4, p. 861.

    Article  PubMed  Google Scholar 

  2. Guida, J.A., Ramos, M.A., Piro, O.E., and Aumonino, P.A., J. Mol. Struct., 2002, vol. 609, nos.1–3, p. 39.

    Article  Google Scholar 

  3. Delley, B., Schefer, J., and Woike, Th., J. Chem. Phys., 1997, vol. 107, no.23, p. 10067.

    Article  Google Scholar 

  4. Schaniel, D., Woike, T., Boskovic, C., and Gudel, H.-U., Chem. Phys. Lett., 2004, vol. 390, nos.4–6, p. 347.

    Article  Google Scholar 

  5. Kim, C., Novozhilova, I., Goodman, M.S., et al., Inorg. Chem., 2000, vol. 39, p. 5791.

    Article  PubMed  Google Scholar 

  6. Fomitchev, D.V., Novozhilova, I., and Coppens, P., Tetrahedron, 2000, vol. 56, no.36, p. 6813.

    Article  Google Scholar 

  7. Sizova, O.V., Lyubimova, O.O., and Sizov, V.V., Zh. Obshch. Khim., 2004, vol. 74, no.3, p. 353.

    Google Scholar 

  8. Gaussian 98, Revision A.7, Pittsburgh: Gaussian, Inc., 1998.

  9. Vosko, S.H., Wilk, L., and Nusair, M., Can. J. Phys., 1980, vol. 58, p. 1200.

    Google Scholar 

  10. Hay, P.J. and Wadt, W.R., J. Chem. Phys., 1985, vol. 82, no.1, p. 299.

    Article  Google Scholar 

  11. Wadt, W.R. and Hay, P.J., J. Chem. Phys., 1985, vol. 82, no.1, p. 284.

    Article  Google Scholar 

  12. Becke, A.D., J. Chem. Phys., 1993, vol. 98, no.7, p. 5648.

    Article  Google Scholar 

  13. Godbout, N., Salahub, D.R., Andzelm, J., and Wimmer, E., Can. J. Chem., 1992, vol. 70, no.5, p. 560.

    Google Scholar 

  14. Serli, B., Zangrando, E., Iengo, E., and Alessio, E., Inorg. Chim. Acta, 2003, vol. 339, nos.1–2, p. 265.

    Google Scholar 

  15. Tfouni, E., Krieger, M., McGarvey, B.R., and Franco, D.W., Coord. Chem. Rev., 2003, vol. 236, p. 57.

    Article  Google Scholar 

  16. Gorelsky, S.I. and Lever, A.B.P., Int. J. Quantum Chem., 2000, vol. 80, p. 636.

    Article  Google Scholar 

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  1. St. Petersburg State University, Universitetskaya nab. 7/9, St. Petersburg, 199164, Russia

    O. O. Lubimova & O. V. Sizova

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  1. O. O. Lubimova
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  2. O. V. Sizova
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Translated from Koordinatsionnaya Khimiya, Vol. 31, No. 8, 2005, pp. 606–611.

Original Russian Text Copyright © 2005 by Lyubimova, Sizova.

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Lubimova, O.O., Sizova, O.V. Regularities of the trans-Influence of Ligand L on the Energy Characteristics of the Metastable Isomers of trans-[RuX4(NO)L]q (L = H2O, NH3, Pyrazine, Cl−, OH−, CN−, NO −2 ; X = Cl−, NH3). Russ J Coord Chem 31, 575–579 (2005). https://doi.org/10.1007/s11173-005-0138-7

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  • DOI: https://doi.org/10.1007/s11173-005-0138-7

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