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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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| Authors: | O V Sizova N V Ivanova V I Baranovskii A B Nikolskii |
| 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. 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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