(eta-Cumene)-(eta-cyclopentadienyl)iron(II) hexafluoroantimonate
[CAS# 100011-37-8]

Identification

• Classification: Organic raw materials >> Organometallic compound >> Organic iron
• Name: (eta-Cumene)-(eta-cyclopentadienyl)iron(II) hexafluoroantimonate
• Synonyms: lambda5-antimony(5+) iron(3+) 3-(propan-2-yl)benzen-1-ide cyclopenta-2,4-dien-1-ide hexafluoride
• Molecular Formula: C₁₄H₁₇F₆FeSb
• Molecular Weight: 476.88
• CAS Registry Number: 100011-37-8
• EC Number: 407-840-0
• SMILES: [CH-]1C=CC=C1.F[Sb-](F)(F)(F)(F)F.CC(c1ccccc1)C.[Fe+2]

Safety Data

• Hazard Symbols: GHS05;GHS07 Danger
• Hazard Statements: H302-H318-H412

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Serious eye damage	Eye Dam.	1	H318
Acute toxicity	Acute Tox.	4	H302
Chronic hazardous to the aquatic environment	Aquatic Chronic	3	H412

Discovory and Applicatios

(η-Cumene)-(η-cyclopentadienyl)iron(II) hexafluoroantimonate is a complex organometallic compound that finds its origins in the exploration of transition metal chemistry and its applications in catalysis. Organometallic chemistry, which focuses on compounds containing metal-carbon bonds, has advanced significantly since the mid-20th century. In this context, ferrocene and its derivatives, including compounds involving iron, have played a pivotal role. The discovery of (η-Cumene)-(η-cyclopentadienyl)iron(II) hexafluoroantimonate is closely linked to the study of ferrocene analogs, where the η-cyclopentadienyl (Cp) group serves as a stable ligand. The addition of the cumene ligand enhances the complex's properties, and the hexafluoroantimonate anion further stabilizes the overall structure.

The compound's stability and electronic properties make it valuable in various chemical applications, particularly in catalysis. In organic synthesis, it acts as a catalyst for a range of polymerization reactions, especially in the formation of specialty polymers and elastomers. Its ability to facilitate controlled polymerization is crucial in producing materials with desirable properties, such as thermal stability, elasticity, and chemical resistance. These polymers are often used in coatings, adhesives, and high-performance industrial materials.

One of the most important applications of (η-Cumene)-(η-cyclopentadienyl)iron(II) hexafluoroantimonate is in photoinitiated polymerization, where it serves as a photoinitiator. When exposed to light, it decomposes to form reactive species that initiate polymerization reactions, which is a key process in the production of photosensitive resins, inks, and coatings. The compound's ability to absorb light and generate reactive intermediates under mild conditions makes it highly valuable in industries that rely on precision polymerization, such as microelectronics and 3D printing.

In addition to its role in polymerization, the compound has also been investigated for its electrochemical properties. Research has shown that the presence of both the Cp and cumene ligands provides the iron center with unique redox characteristics, making it potentially useful in applications such as electrochemical sensors and devices. This redox activity allows the compound to participate in electron transfer processes, which is essential for certain types of catalysis and energy storage technologies.

The hexafluoroantimonate anion (SbF6−) in this complex plays a stabilizing role, contributing to the overall solubility of the compound in organic solvents and enabling its use in homogeneous catalysis. The anion also helps to maintain the compound's structural integrity during catalytic processes, which is important for ensuring consistent performance in industrial applications.

Due to its organometallic nature, (η-Cumene)-(η-cyclopentadienyl)iron(II) hexafluoroantimonate is typically handled in specialized environments where proper safety measures are in place. This includes avoiding direct contact with skin and ensuring adequate ventilation when working with the compound in laboratories or industrial settings. Despite these precautions, its effectiveness as a catalyst and photoinitiator has made it a valuable tool in advancing modern materials science and polymer chemistry.