The Geometric and Electronic Structure of [(cyclam‐acetato)Fe(N)]⁺: A Genuine Iron(<scp>V</scp>) Species with a Ground‐State Spin <i>S</i>=1/2

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. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2005/z462368_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.