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A Ferrocene-Based Dicationic Iron(IV) Carbonyl Complex.

Moritz Malischewski1, Konrad Seppelt1, Jörg Sutter2

  • 1Freie Universität Berlin, Institut für Chemie und Biochemie, Anorganische Chemie, Fabeckstrasse 34-36, 14195, Berlin, Germany.

Angewandte Chemie (International Ed. in English)
|September 4, 2018
PubMed
Summary
This summary is machine-generated.

Researchers synthesized a novel high-valent iron carbonyl complex, [Cp*2Fe(CO)]2+, by reacting [Cp*2Fe]2+ with carbon monoxide. This stable, diamagnetic compound provides new insights into iron carbonyl chemistry.

Keywords:
57Fe Mössbauer spectroscopycarbonyl ligandscyclopentadienyl ligandsironmetallocenes

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Area of Science:

  • Organometallic Chemistry
  • Inorganic Chemistry
  • Coordination Chemistry

Background:

  • The study focuses on the synthesis and characterization of unprecedented high-valent iron carbonyl compounds.
  • Investigates the reactivity of 16-valence electron species [Cp*2Fe]2+ (Cp*=η-C5Me5) with carbon monoxide.

Purpose of the Study:

  • To synthesize and characterize a stable, high-valent iron carbonyl complex.
  • To elucidate the structural and electronic properties of the novel compound.

Main Methods:

  • Quantitative binding of carbon monoxide (CO) to [Cp*2Fe]2+ in HF solution.
  • Crystallographic characterization of the resulting dication salts ([Cp*2Fe(CO)]2+ with AsF6- and SbF6-).
  • 57Fe Mössbauer spectroscopy and Density Functional Theory (DFT) computational analysis to determine the iron oxidation state.

Main Results:

  • Formation of the stable, diamagnetic carbonyl species [Cp*2Fe(CO)]2+.
  • Crystallographic analysis revealed non-parallel cyclopentadienyl rings and an equatorial η1-CO ligand.
  • Spectroscopic and computational data confirmed the formal oxidation state of +IV for iron.

Conclusions:

  • The successful synthesis and characterization of [Cp*2Fe(CO)]2+ represent a significant advancement in high-valent iron carbonyl chemistry.
  • The study provides a detailed understanding of the structure, bonding, and electronic properties of this unprecedented compound.