Electronic structure and spin bonds in the [(NH3)5Cr-O-Cr(NH3)5]4+complex
| Autor: | Sizova, O. V., Panin, A. I., Baranovskii, V. I., Shirokov, D. V. |
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| Zdroj: | Journal of Structural Chemistry; May 1997, Vol. 38 Issue: 3 p375-381, 7p |
| Abstrakt: | The electronic structure of the lowest singlet, triplet, quintet, and septet states of the binuclear complex [Cr(NH3)5]2O4+are calculated by the semiempirical MC SCF method in the INDO approximation. Schemes of spin coupling of Cr-O-Cr in these states are analyzed. |
| Databáze: | Supplemental Index |
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