The Electronic Ground State of [Fe(CO)3(NO)]−: A Spectroscopic and Theoretical Study |
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| Authors: | MSc Johannes E M N Klein Dr Burkhard Miehlich Dr Michael S Holzwarth Prof?Dr Matthias Bauer Dipl‐Chem Magdalena Milek Dr Marat M Khusniyarov Dr Gerald Knizia Prof?Dr Hans‐Joachim Werner Prof?Dr Bernd Plietker |
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| Institution: | 1. Institut für Organische Chemie, Universit?t Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany);2. Department Chemie, Naturwissenschaftliche Fakult?t, Universit?t Paderborn, Warburger Strasse 100, 33098 Paderborn (Germany);3. Department Chemie und Pharmazie, Friedrich‐Alexander‐Universit?t Erlangen‐Nürnberg, Egerlandstrasse 1, 91058 Erlangen (Germany);4. Institut für Theoretische Chemie, Universit?t Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany) |
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| Abstract: | During the past 10 years iron‐catalyzed reactions have become established in the field of organic synthesis. For example, the complex anion Fe(CO)3(NO)]?, which was originally described by Hogsed and Hieber, shows catalytic activity in various organic reactions. This anion is commonly regarded as being isoelectronic with Fe(CO)4]2?, which, however, shows poor catalytic activity. The spectroscopic and quantum chemical investigations presented herein reveal that the complex ferrate Fe(CO)3(NO)]? cannot be regarded as a Fe?II species, but rather is predominantly a Fe0 species, in which the metal is covalently bonded to NO? by two π‐bonds. A metal–N σ‐bond is not observed. |
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| Keywords: | electronic structure Enemark– Feltham notation ferrates iron catalysis spectroscopy |
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