Heptakis(acetato)oxotriruthenium
[CAS# 55466-76-7]

Identification

• Classification: Organic raw materials >> Organometallic compound >> Organic ruthenium
• Name: Heptakis(acetato)oxotriruthenium
• Synonyms: Ruthenium(+3) cation heptaacetate
• Molecular Formula: C₁₂H₁₈O₁₃Ru₃^.C₂H₃O₂
• Molecular Weight: 732.52
• CAS Registry Number: 55466-76-7
• EC Number: 259-653-7
• SMILES: CC([O-])=O.CC1=O[Ru+3]2([O-]C(C)=O[Ru+3]3([O-]C(C)=O4)(O=C(C)[O-]5)[O-]C(C)=O2)([O-]C(C)=O6)[O-2]3[Ru+3]456[O-]1

Safety Data

• Hazard Symbols: GHS06;GHS07 Danger
• Hazard Statements: H301-H315-H319-H335
• Precautionary Statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute hazardous to the aquatic environment	Aquatic Acute	1	H400
Serious eye damage	Eye Dam.	1	H318
Chronic hazardous to the aquatic environment	Aquatic Chronic	1	H410

• Transport Information: UN 3288

Discovory and Applicatios

Heptakis(acetato)oxotriruthenium is a well-defined trinuclear ruthenium complex characterized by three ruthenium atoms connected via an oxo (oxygen) bridge and coordinated by seven acetate ligands. The compound’s structure includes a μ₃-oxo ligand that simultaneously bonds to all three ruthenium centers, providing a core framework that stabilizes the trinuclear cluster. The acetate ligands act both as bridging and terminal ligands, coordinating to the metal centers and completing their coordination spheres.

This type of oxo-bridged polynuclear ruthenium complex has been extensively studied within coordination and organometallic chemistry due to its unique structural features and potential catalytic properties. The trinuclear arrangement promotes metal-metal interactions that can influence the electronic structure and reactivity of the complex.

The synthesis of heptakis(acetato)oxotriruthenium typically involves the reaction of ruthenium trichloride or ruthenium salts with acetate sources under controlled conditions that facilitate hydrolysis and ligand substitution. In aqueous or alcoholic media, hydrolysis leads to the formation of the μ₃-oxo bridge, while acetate ions coordinate to the ruthenium centers. The reaction conditions, such as pH and temperature, are critical to obtaining the desired trinuclear species with the correct ligand arrangement.

Structurally, each ruthenium atom in the complex generally exhibits an octahedral coordination geometry. The μ₃-oxo ligand occupies a bridging position at the center, while acetate ligands bridge between ruthenium atoms or bind terminally. This coordination environment imparts stability and influences the redox properties of the complex.

Heptakis(acetato)oxotriruthenium has attracted attention for its catalytic activity, particularly in oxidation reactions and water oxidation catalysis. The metal centers, bridged by oxo and acetate ligands, facilitate electron transfer processes and substrate activation. Such trinuclear ruthenium clusters serve as models for catalytic systems and are studied for their ability to mimic natural enzyme active sites, such as those involved in photosynthetic water splitting.

Analytical characterization of this complex includes spectroscopic techniques such as ultraviolet-visible (UV-Vis) absorption spectroscopy, which reveals electronic transitions characteristic of ruthenium-oxo clusters, and infrared (IR) spectroscopy, which identifies acetate ligand vibrations and the presence of metal-oxo bonds. X-ray crystallography provides definitive structural information, confirming the trinuclear core, ligand positions, and metal-metal distances.

The compound is typically isolated as a crystalline solid and exhibits solubility in organic solvents such as dichloromethane and acetone. Its stability under ambient conditions makes it suitable for various experimental and catalytic applications.

In summary, heptakis(acetato)oxotriruthenium is a trinuclear ruthenium complex featuring a central μ₃-oxo bridge and seven acetate ligands. It is notable for its distinctive structure and catalytic potential, especially in oxidation chemistry, and serves as an important example of polynuclear transition metal oxo clusters in coordination chemistry.