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Free keywords:
electronic structure; EXAFS spectroscopy; iron; Mössbauer spectroscopy; nitrido ligands
Abstract:
Low‐spin, high‐valent iron centers: A high‐valent iron–nitrido species containing a FeV center is accessible by the photolysis of [(cyclam‐ac)FeIIIN3]+. The identity of the resulting [(cyclam‐ac)FeV(N)]+ species was verified by spectroscopic methods, magnetic susceptibility data, and DFT calculations (see picture). Unexpectedly, the analysis provides strong evidence for a low‐spin d3 (S=1/2) ground‐state electron configuration at the FeV center.