98510-20-4 Purity
99%+
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Specification
Gallium nitrate hydrate (Ga(NO3)3·xH2O) is a critical precursor in synthesizing hybrid matrices for orthopedic applications, where gallium integration into hydroxyapatite protects bone from resorption and enhances skeletal biomechanics. This case study examines the thermal decomposition pathway of Ga(NO3)3·6H2O-a key process in hybrid matrix preparation-using experimental thermogravimetry and molecular mechanics modeling.
· Thermal Decomposition Process
The decomposition occurs in six distinct stages: 1)Initial Dehydration: Removal of 6 moles of loosely bound water, yielding a mass loss of 7.40% (experimental), with no intermolecular interaction. 2)Tetramer Formation: Simultaneous loss of 5H2O and 4N2O5 (36.55% experimental mass loss), driving condensation of 4 monomer units into a cyclic tetramer Ga4O4(NO3)4. 3) Intermediate Dehydration: Elimination of 9H2O (11.50% mass loss). 4) Residual Water Removal: Additional dehydration (5.04% mass loss). 5) Oxynitrate Breakdown: Loss of penultimate N2O5 (7.38% mass loss). 6) Final Decomposition: Removal of last N2O5 (7.33% mass loss), triggering collapse of oxygen bridges to form gallium oxide (Ga2O3). Cumulative mass loss reached 75.1% at 800°C.
· Key Reaction Mechanism
Upon melting, 4 moles of Ga(NO3)3·6H2O spontaneously condense into the tetramer Ga4O4(NO3)4. This intermediate progressively sheds N2O5 via unstable oxynitrates, ultimately transforming into Ga2O3. Molecular mechanics modeling confirmed the stability of this pathway by comparing potential energies of decomposition intermediates.
Gallium nitrate hydrate, Ga(NO3)3·xH2O, is a useful precursor for the synthesis of gallium nitride, GaN, nanopowder, an important blue fluorescent material. However, the oxidation of GaN to Ga2O3, which is easy to occur under thermal plasma conditions, has been an obstacle to this synthesis. The present case study reported an optimized thermal plasma synthesis that successfully overcame the oxidation obstacle to produce crystalline GaN nanopowder from gallium nitrate hydrate, which is highly reactive under high-temperature thermal plasma.
Key Results
· Synthesis: Ga(NO3)3·xH2O was processed in a DC non-transferred argon thermal plasma reactor using NH3 gas as the nitridation source and co-injected melamine (C3H6N6) as a reductant at molar ratios of 1:3 or 1:6 (vs. gallium nitrate). This combination prevented oxidation to Ga2O3 - a consistent outcome when using NH3 alone or melamine without NH3.
· Post-Processing: The as-synthesized GaN nanopowder exhibited low crystallinity and contained residual melamine. Annealing at 850°C for 3 hours in vacuum eliminated impurities and significantly enhanced crystallinity, which was unattainable through plasma synthesis alone.
· Resulting Nanopowder Characteristics: The plasma + annealing procedure resulted in crystalline GaN nanopowder with particle size distribution in the range of 10-60 nm, with mean size of 29.8 nm. This represented successful conversion of the oxygen-rich gallium nitrate hydrate precursor into phase-pure GaN.
Injecting gallium nitrate hydrate (Ga(NO3)3·xH2O) dissolved in deionized/distilled water (H2O) or methyl alcohol (CH3OH) into DC arc thermal plasma reactor, it was found that the morphology and crystallinity of the gallium oxide (Ga2O3) nanomaterials prepared were determined by solvent type and collection location (reaction tube vs. chamber).
Key Findings:
· Product Properties: The samples from the reaction tube were all crystalline monoclinic β-Ga2O3 (20 nm) regardless of the solvent, whereas the samples from the chamber were all amorphous: H2O solvent led to amorphous Ga2O3 nanoparticles, whereas CH3OH solvent to amorphous Ga2O3 nanowires.
· Mechanism of Control: Crystallinity was attributed to prolonged radiation heating in the reaction tube. Morphology differences arose from solvent-dependent plasma environments: H2O facilitated larger amorphous nanoparticles due to extended vapor residence time, whereas CH3OH decomposition produced carbon-containing gases (CH4, CO2, CO) that promoted nanowire formation in the chamber.
The molecular formula is GaH2N3O10.
The molecular weight is 273.75 g/mol.
The IUPAC name is gallium;trinitrate;hydrate.
The InChI is InChI=1S/Ga.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1.
The InChIKey is YVFORYDECCQDAW-UHFFFAOYSA-N.
The canonical SMILES is [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Ga+3].
It has 1 hydrogen bond donor count.
It has 10 hydrogen bond acceptor count.
It has 0 rotatable bond count.
The topological polar surface area is 190Ų.