# Synthesis and Characterization of Unusual S=1 Fe(0)‐Silyl Complexes Supported by Styrene Ligands

## TL;DR

Scientists created and analyzed new iron-silicon complexes stabilized by styrene ligands, offering insights into iron-silicon bonding and potential applications in catalysis.

## Contribution

The first high-spin (S=1) Fe(0)-silyl complexes supported by styrene ligands are synthesized and characterized.

## Key findings

- High-spin (S=1) Fe(0)-silyl complexes were successfully synthesized using styrene ligands.
- Electronic and structural properties were confirmed through spectroscopic and computational methods.
- These complexes provide new insights into Fe–Si bonding and stability.

## 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 57Fe 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.

Despite the long‐standing importance of iron‐silicon bonds as related to catalysis, high‐spin Fe(0)‐silyl complexes remain a historical synthetic challenge in the field. Herein, we report the first series of high‐spin S = 1, styrene‐stabilized Fe(0)‐silyl complexes followed by extensive characterization via Mössbauer spectroscopy, single crystal X‐ray diffraction, Evans NMR, and computational analysis. (404 characters)