Gallium acetate

• CAS: 2571-06-4
• Catalog Number: ACM2571064
• Category: Main Products
• Molecular Weight: 246.86
• Molecular Formula: C₆H₉GaO₆
• Synonyms: GALLIUM ACETATE;gallium(3+) acetate;Triacetic acid gallium salt;gallium triacetate;gallium triethanoate
• IUPAC Name: GALLIUM ACETATE
• Boiling Point: 117.1ºC at 760 mmHg
• Flash Point: 40ºC
• Exact Mass: 245.96500

Case Study

Speciation studies of gallium(III) acetate under physiological conditions

Hacht, Brahim. Open Science Journal 1.1 (2016).

The constants governing the free and protonated forms of ACT have been determined in previous studies under the same conditions. They were then confirmed and used before studying the gallium(III) equilibrium. For Ga(III), it is recommended to determine the constants relative to the metal ion hydroxide under the same conditions as for the metal-ligand interaction. Due to their very high polarizability, the Ga(III) ion has such a high tendency to hydrolyze that even at acidic pH conditions, its hydrolysis equilibrium must be considered absolutely accurately in the calculations, especially since acetate is not a strong oxidizing agent. The ligands render the hydroxide negligible.
The important changes observed for increasing gallium ion concentrations reflect the release of protons from complexing ligands and/or water molecules, indicating the formation of stable gallium acetate complexes and/or metal ion hydroxides. In fact, both phenomena (complexation and hydrolysis) lead to the release of protons into the solution. The changes between these curves depend on the pH value and the metal to ligand ratio. At pH around 2, these curves remain practically identical, but around pH 3 the gap becomes very important. The equilibrium between gallium (III) metal ions and acetate ions, as a model for low molecular weight ligands, was experimentally investigated in aqueous solution using a potentiometric titration technique under physiological conditions of 37 °C and an ionic strength of 0.15 mol.dm-3, NaCl. The potentiometric titration measurements were monitored with the aid of a glass electrode, which was calibrated daily with the hydrogen ion concentration. Several metal to ligand ratios were used and the corresponding titration data, obtained in the pH range 2.3-5.3, were processed with the SUPERQUAD computer program to determine the global stability constants. Different species were considered in the calculations and the following hydroxides were characterized: Ga(OH)3, Ga6(OH)15 3+ and coexistence with a mononuclear complex Ga(CH3COO) 2+. The pH dependence of the species distribution was then simulated using speciation calculations based on the determined constants.

Characterization of Gallium Acetate Complexes in Aqueous Solutions

Clausén, Maria, et al. Journal of the Chemical Society, Dalton Transactions 12 (2002): 2559-2564.

The aqueous gallium acetate system was studied in 0.6 M Na(Cl) at 25 °C using a variety of technical approaches, including potentiometry, IR spectroscopy, EXAFS spectroscopy, and molecular orbital calculations. A model including one mononuclear and one dinuclear complex satisfactorily explains the potentiometric data. The stoichiometry of the latter complex is identical to that previously determined in the aluminoacetate system. Also consistent with this system, the IR and EXAFS data strongly suggest that the complex consists of two edge-sharing Ga octahedra bridged with acetate ions and should be formulated as [Ga2(µ-OH)2(µ-O2CCH3)]3+. This interpretation is further supported by molecular orbital calculations.
The titrations were performed in a constant ionic medium of 0.6 M NaCl and at a temperature of 25 ± 0.1 °C. To prevent atmospheric contamination, a humidified argon gas flow was allowed to flow through the solution throughout the data collection. The glass electrode apparatus was calibrated at the beginning of each titration by stepwise coulometric neutralization of known concentrations of HCl in 0.6 M NaCl, to which acetic acid and/or Ga solutions were then added by volume. The H-Ga system was studied in a separate series of coulometric titrations consisting of three sets and 107 data points. The concentration of Ga was varied between 3.96 and 11.48 mM with 2.2 ≤ log [H] ≤ 3.1. In the H-acetic acid and H-Ga-acetic acid systems, dilute sodium hydroxide solution replaced the use of the coulometer to increase log[H]. This was due to the occurrence of unwanted side reactions when using the coulometer, probably reduction of the ligand. Nine data sets (128 data points in total) were used to determine the speciation in the three-component system. Initial concentrations varied within the range of 4.10 ≤ [HAc] ≤ 28.83 mM, 5.13 ≤ [Ga] ≤ 15.97 mM, and 2.1 ≤ log [H] ≤ 2.9. The ratios between HAc and Ga investigated were 0.27, 0.44, 0.49, 0.62, 0.97, 1.04, 1.11, 1.48, and 4.16.

Custom Q&A

What is the molecular formula of gallium acetate?

The molecular formula of gallium acetate is C6H9GaO6.

What is the molecular weight of gallium acetate?

The molecular weight of gallium acetate is 246.85 g/mol.

What is the IUPAC name of gallium acetate?

The IUPAC name of gallium acetate is diacetyloxygallanyl acetate.

What is the InChI of gallium acetate?

The InChI of gallium acetate is InChI=1S/3C2H4O2.Ga/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3.

What is the InChIKey of gallium acetate?

The InChIKey of gallium acetate is FYWVTSQYJIPZLW-UHFFFAOYSA-K.

What is the Canonical SMILES of gallium acetate?

The Canonical SMILES of gallium acetate is CC(=O)O[Ga](OC(=O)C)OC(=O)C.

What is the hydrogen bond donor count of gallium acetate?

The hydrogen bond donor count of gallium acetate is 0.

What is the hydrogen bond acceptor count of gallium acetate?

The hydrogen bond acceptor count of gallium acetate is 6.

What is the topological polar surface area of gallium acetate?

The topological polar surface area of gallium acetate is 78.9Ų.

How many covalently-bonded units are there in gallium acetate?

There is 1 covalently-bonded unit in gallium acetate.