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Electronic structure and spectra of [Ru(NH3)5pyz]2+ and [(NH3)5Ru-pyz-Ru(NH3)5]4+

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Abstract

The electronic structure and spectra of [Ru(NH3)5pyz]2+ and [(NH3)5Ru-pyz-Ru(NH3)5]4+ are calculated by the INDO (CINDO-E/S) method. Changes in molecular orbitals, charge distributions, and bond order indices of the pyrazine molecule and [Ru(NH3)5pyz]2+ complex in the [(NH3)5Ru-pyz-Ru(NH3)5]4+ binuclear complex are analyzed.

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Authors
  1. O. V. Sizova
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  2. N. V. Ivanova
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  3. V. I. Baranovskii
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  4. A. B. Nikolskii
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Additional information

St. Petersburg State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 4, pp. 12–23, July–August, 1994.

Translated by. O. Kharlamova

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Sizova, O.V., Ivanova, N.V., Baranovskii, V.I. et al. Electronic structure and spectra of [Ru(NH3)5pyz]2+ and [(NH3)5Ru-pyz-Ru(NH3)5]4+ . J Struct Chem 35, 433–442 (1994). https://doi.org/10.1007/BF02578352

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  • DOI: https://doi.org/10.1007/BF02578352

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