Decay of Iron(V) Nitride Complexes By a NN Bond‐Coupling Reaction in Solution: A Combined Spectroscopic and Theoretical Analysis | Zendy

Krahe Oliver | Zendy; Bill Eckhard | Zendy; Neese Frank | Zendy

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Decay of Iron(V) Nitride Complexes By a NN Bond‐Coupling Reaction in Solution: A Combined Spectroscopic and Theoretical Analysis

Author(s) -

Krahe Oliver,

Bill Eckhard,

Neese Frank

Publication year - 2014

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201403402

Subject(s) - nitride , coupling (piping) , iron nitride , bond , computational chemistry , coupling reaction , chemistry , materials science , physics , crystallography , nanotechnology , organic chemistry , metallurgy , catalysis , economics , layer (electronics) , finance

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 ‐NN‐Fe II →2 Fe II +N 2 ). 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.

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