Synthesis and Characterization of Unusual <i>S</i> =1 Fe(0)‐Silyl Complexes Supported by Styrene Ligands

Abstract

Abstract In this research we report unprecedented high‐spin ( S  = 1) Fe(0)‐silyl complexes stabilized by simple styrene ligands. Access to these novel complexes follows a straightforward route through previously reported Fe(0)‐alkyl complexes paired with a range of aryl silanes to promote the protonation of the alkyl substituent and subsequent coordination of the silicon moiety. Spectroscopic and structural analyses (SC‐XRD, Evans Method, 80 K 57 Fe Mössbauer) established their unique electronic and structural configuration while DFT calculations further probed electronic structure and bonding effects of the styrene to Fe(0) centres, identifying essential electronic stability. By uncovering the first high‐spin ( S  = 1), alkene stabilized Fe(0)‐silyl complexes, this work offers further fundamental insights into Fe–Si bonding that can contribute to future insights into reactivity.