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Electronic structure and spectra of [Ru(NH{sub 3}){sub 5}pyz]{sup 2+} and [(NH{sub 3}){sub 5}Ru-pyz-Ru(NH{sub 3}){sub 5}]{sup 4+}

Journal Article · · Journal of Structural Chemistry
OSTI ID:171830
The electronic structure and spectra of [Ru(NH{sub 3}){sub 5}pyz]{sup 2+} and [(NH{sub 3}){sub 5}]{sup 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(NH{sub 3}){sub 5}pyz]{sup 2+} complex in the [(NH{sub 3}){sub 5}Ru-pyz-Ru(NH{sub 3}){sub 5}Ru-pyz-Ru(NH{sub 3}){sub 5}]{sup 4+} binuclear complex are analyzed.
OSTI ID:
171830
Journal Information:
Journal of Structural Chemistry, Journal Name: Journal of Structural Chemistry Journal Issue: 4 Vol. 35; ISSN JSTCAM; ISSN 0022-4766
Country of Publication:
United States
Language:
English