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Krahe O, Bill E, Neese F. Decay of iron(V) nitride complexes by a N-N bond-coupling reaction in solution: a combined spectroscopic and theoretical analysis. Angew Chem Int Ed Engl. 2014;53(33):8727-31doi: 10.1002/anie.201403402.
Krahe, O., Bill, E., & Neese, F. (2014). Decay of iron(V) nitride complexes by a N-N bond-coupling reaction in solution: a combined spectroscopic and theoretical analysis. Angewandte Chemie (International ed. in English), 53(33), 8727-31. https://doi.org/10.1002/anie.201403402
Krahe, Oliver, et al. "Decay of iron(V) nitride complexes by a N-N bond-coupling reaction in solution: a combined spectroscopic and theoretical analysis." Angewandte Chemie (International ed. in English) vol. 53,33 (2014): 8727-31. doi: https://doi.org/10.1002/anie.201403402
Krahe O, Bill E, Neese F. Decay of iron(V) nitride complexes by a N-N bond-coupling reaction in solution: a combined spectroscopic and theoretical analysis. Angew Chem Int Ed Engl. 2014 Aug 11;53(33):8727-31. doi: 10.1002/anie.201403402. Epub 2014 May 18. PMID: 24839269.
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Angew Chem Int Ed Engl. 2014 Aug 11;53(33):8727-31. doi: 10.1002/anie.201403402. Epub 2014 May 18.

Decay of iron(V) nitride complexes by a N-N bond-coupling reaction in solution: a combined spectroscopic and theoretical analysis.

Angewandte Chemie (International ed. in English)

Oliver Krahe, Eckhard Bill, Frank Neese

Affiliations

  1. Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, 45470 Mülheim an der Ruhr (Germany) http://www.cec.mpg.de.

PMID: 24839269 DOI: 10.1002/anie.201403402

Abstract

Cryogenically trapped Fe(V) nitride complexes with cyclam-based ligands were found to decay by bimolecular reactions, forming exclusively Fe(II) compounds. Characterization of educts and products by Mössbauer spectroscopy, mass spectrometry, and spectroscopy-oriented DFT calculations showed that the reaction mechanism is reductive nitride coupling and release of dinitrogen (2 Fe(V)≡N→Fe(II)-N=N-Fe(II)→2 Fe(II)+N2). The reaction pathways, representing an "inverse" of the Haber-Bosch reaction, were computationally explored in detail, also to judge the feasibility of yielding catalytically competent Fe(V)(N). Implications for the photolytic cleavage of Fe(III) azides used to generate high-valent Fe nitrides are discussed.

© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords: FeV nitrides; Mössbauer spectroscopy; iron; mass spectrometry; nitride coupling

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