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Electrochemical investigation of lanthanide octa-tert-butylsubstituted diphthalocyanine complexes in solutions. Approximation of their redox transitions by semiempirical calculations for yttrium diphthalocyanine

  • Physical Chemistry
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Abstract

The electrochemical potentials of seven redox transitions for green forms and eight redox transitions for blue forms of neutral octa-tert-butylsubstituted diphthalocyanine cornplexes of lanthanides Pct 2Ln (Ln=Pr, Sm, Dy, and Lu) in solutions were measured by cyclic voltammetry and rotating disc electrode techniques. The spectroelectrochemical investigation of the products of two-electron oxidation and reduction of the green form of Pct 2Lu was performed. The frontier molecular orbitals, total charge densities, total spin densities, electrostatic potentials, and heats of ion formation for (Pc2Y)m+,n− (m=0, 1, 2 and 3;n=1, 2, 3 and 4), which can model the products of the redox transitions of the diphthalocyanines under study, were calculated using the semiempirical ZINDO/1 method. The calculations for (Pc2Y)m+,n− and absorption spectra show that the electron changes in all redox transitions of the green forms of Pct 2Ln are mainly localized on the ligands.

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Authors and Affiliations

  1. Department of Chemistry, M. V. Lomonosov Moscow State University, Vorob'evy Gory, 119899, Moscow, Russian Federation

    T. V. Magdesieva, I. V. Zhukov, L. G. Tomilova, E. V. Chernykh & K. P. Butin

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  1. T. V. Magdesieva
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  2. I. V. Zhukov
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  3. L. G. Tomilova
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  4. E. V. Chernykh
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  5. K. P. Butin
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya No. 12, pp. 2149–2156, December, 1997.

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Magdesieva, T.V., Zhukov, I.V., Tomilova, L.G. et al. Electrochemical investigation of lanthanide octa-tert-butylsubstituted diphthalocyanine complexes in solutions. Approximation of their redox transitions by semiempirical calculations for yttrium diphthalocyanine. Russ Chem Bull 46, 2036–2043 (1997). https://doi.org/10.1007/BF02495248

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  • DOI: https://doi.org/10.1007/BF02495248

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