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Analytical approximation of the conformational dependence of the exchange interaction parameters for axially coordinated Cu(II) complexes with nitroxides

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Abstract

Analytical expressions relating the exchange parameters to the geometrical characteristics that determine the position of the radical fragment >N−O in axially coordinated Cu(II) complexes are derived from the results of quantum chemical calculations. The contributions of the delocalization (major) and direct (minor) mechanisms are considered. The expressions are tested by application to some complexes with known geometrical structures.

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References

  1. V. I. Ovcharenko, A. B. Gelman and V. N. Ikorskii,Zh. Strukt. Khim.,30, 142–165 (1989).

    CAS  Google Scholar 

  2. A. Caneschi, D. Gatteschi and P. Rey,Prog. Inorg. Chem.,39, 331–429 (1991).

    Article  Google Scholar 

  3. L. B. Volodarsky, V. A. Reznikov and V. I. Ovcharenko,Synthetic Chemistry of Stable Nitroxides, CRC Press, Boca Raton, FL (1994).

    Google Scholar 

  4. A. Caneschi, D. Gatteschi, A. Grand, et al.,Inorg. Chem.,27, 1031–1035 (1988).

    Article  CAS  Google Scholar 

  5. R. N. Musin, P. V. Schastnev and S. A. Malinovskaya,ibid.,31, 4118–4121 (1992).

    Article  CAS  Google Scholar 

  6. C. Salez and A. Veilard,Theor. Chim. Acta,11, 441–451 (1968).

    Article  CAS  Google Scholar 

  7. R. N. Musin,Inform. Mater. SFKP SO AN,2, 7 (1985).

    Google Scholar 

  8. A. F. Latypov and Yu. V. Nikulichev, Specialized package of optimization programs, Preprint, Institute of Theoretical and Applied Mechanics, Novosibirsk (1985).

    Google Scholar 

  9. A. Grand, P. Rey and R. Subra,Inorg. Chem,22, 391–396 (1983).

    Article  CAS  Google Scholar 

  10. C. Benelli, D. Gatteschi, C. Zanchini, et al.,ibid.,25, 4242–4248 (1986).

    Article  CAS  Google Scholar 

  11. G. M. Zhidomirov, P. V. Schastnev and N. D. Chuvylkin,Quantum Chemical Calculations of Magnetic Resonance Parameters [in Russian], Nauka, Novosibirsk (1978).

    Google Scholar 

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Authors
  1. S. A. Malinovskaya
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  2. R. N. Musin
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  3. P. V. Schastnev
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Additional information

Institute of Chemical Kinetics and Combustion, Russian Academy of Sciences, Siberian Branch, Novosibirsk. Translated fromZhurnal Struktumoi Khimii, Vol. 36, No. 1, pp. 27–33, January–February, 1995.

Translated by I. Izvekova

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Malinovskaya, S.A., Musin, R.N. & Schastnev, P.V. Analytical approximation of the conformational dependence of the exchange interaction parameters for axially coordinated Cu(II) complexes with nitroxides. J Struct Chem 36, 23–28 (1995). https://doi.org/10.1007/BF02577745

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  • DOI: https://doi.org/10.1007/BF02577745

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