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Comment on “A Low-Spin Ruthenium(IV)–Oxo Complex: Does the Spin State Have an Impact on the Reactivity”

Authors

  • Dr. Detlef Schröder,

    Corresponding author
    1. Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo náměstí 2, 16610 Prague 6 (Czech Republic), Fax: (+420) 2-2018-3462
    • Detlef Schröder, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo náměstí 2, 16610 Prague 6 (Czech Republic), Fax: (+420) 2-2018-3462===

      Sason Shaik, Department of Organic Chemistry, The Hebrew University, Givat Ram Campus, 91904 Jerusalem (Israel), Fax: (+972) 2-658-4680===

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  • Prof. Dr. Sason Shaik

    Corresponding author
    1. Department of Organic Chemistry, The Hebrew University, Givat Ram Campus, 91904 Jerusalem (Israel), Fax: (+972) 2-658-4680
    • Detlef Schröder, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo náměstí 2, 16610 Prague 6 (Czech Republic), Fax: (+420) 2-2018-3462===

      Sason Shaik, Department of Organic Chemistry, The Hebrew University, Givat Ram Campus, 91904 Jerusalem (Israel), Fax: (+972) 2-658-4680===

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  • This work was supported by the Czech Academy of Sciences (Z40550506), the European Research Council (AdG HORIZOMS), and the Lise-Meitner Minerva Center for Computational Quantum Chemistry. We thank Prof. Dr. F. Neese for helpful comments about the theoretical prediction of spin-state splittings.

Abstract

Wechselnde Spinzustände: Wenn für das Metallzentrum in einem Übergangsmetallkomplex mehrere Spinzustände möglich sind, kann das die Reaktivität des Komplexes beeinflussen. In solchen Fällen ist bei der Interpretation von experimentellen und theoretischen Befunden Vorsicht angebracht.

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