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The electronic structure of the oxygen double-bridged μμ′-dioxo-bis(oxodichloroaquo)dimolybdate (V)-ion by SCCC MO method

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Abstract

Results of SCCC MO calculations for the dimeric oxygen double-bridged [Mo2O4Cl4(H2O)2]2−ion are reported. On the basis of these results the previously reported spectra and magnetic properties may be explained. The strong direct molybdenum — molybdenum interaction in the Mo2O 2+4 core was proved to exist.

Zusammenfassung

Die Ergebnisse von SCCC MO-Rechnungen für das zweikernige Ion [Mo2O4Cl4(H2O)2]2− mit zweifacher Sauerstoffbrücke werden mitgeteilt. Danach können die früher angeführten magnetischen und spektralen Eigenschaften dieses Ions verstanden werden. Die Existenz starker unmittelbarer Molybdän-Molybdän Wechselwirkungen innerhalb des Mo2O 2+4 Kerns wird nachgewiesen.

Résumé

Résultats de calculs SCCCMO pour l'ion dimère Mo2O4Cl4(H2O) 2−2 . Sur la base de ces résultats les propriétés spectrales et magnétiques précédemment obtenues peuvent être expliquées. L'existence d'une forte interaction directe molybdène-molybdène dans le coeur Mo2O 2+4 est clairement démontrée.

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Authors and Affiliations

  1. Institute of Chemistry, University of Wrocław, Wrocław, Poland

    Leszek Natkaniec, Mikołaj F. Rudolf & Bogusława Jeźowska-Trzebiatowska

Authors
  1. Leszek Natkaniec
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  2. Mikołaj F. Rudolf
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  3. Bogusława Jeźowska-Trzebiatowska
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Natkaniec, L., Rudolf, M.F. & Jeźowska-Trzebiatowska, B. The electronic structure of the oxygen double-bridged μμ′-dioxo-bis(oxodichloroaquo)dimolybdate (V)-ion by SCCC MO method. Theoret. Chim. Acta 28, 193–199 (1973). https://doi.org/10.1007/BF00528662

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  • DOI: https://doi.org/10.1007/BF00528662

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