Abstract
The compound, tris-(5-methylbenzimidazole) tris-(oxalato)-aluminate (III) trihydrate, (C8H9N2)3[Al(C2O4)3]·3H2O, was synthesized by slow evaporation at room temperature and characterized by single crystal X-ray diffraction and X-ray powder diffraction, infrared (IR), ultraviolet (UV-visible) spectroscopies, and thermal analysis. The results show that this complex crystallizes in the monoclinic system, space group P21/c, with the mesh parameters a = 13.499(7) A, b = 14.872(9) A, c = 16.995(5) A, β = 91.44(3)°, V = 3411(3) A3 and Z = 4. The formula unit is composed of tris-(oxalato)-aluminate [Al(C2O4)3]3- anions, tris-(5-methylbenzimidazole) cations and three uncoordinated water molecules. The geometry of the aluminum ion is octahedral, formed by six oxygen atoms belonging to three oxalate anions serving as chelating ligands. Cohesion of the structure is ensured by intermolecular hydrogen bonds of O-H...O, N-H...O type linking ionic entities and water molecules as well as by π-π and π-π* between cycles of 5-methylbenzimidazole cations. In order to clarify the intermolecular interactions formed by the organic cations and inorganic anions, an analysis of the calculated Hirshfeld surfaces was used. The UV-Vis spectrum reveals an optical band gap width of 2.88 eV, which shows that this compound has a semiconductor material behavior.
Highlights
The design and fabrication of novel multifunctional hybrid compounds are attracting increasing interest due to their broad applications in catalysis, evolution of organic materials-inorganic materials, electrochemistry, photochemistry, etc. [1] [2] [3] [4]
A colorless prismatic crystal was selected under a polarizing microscope for single crystal X-ray diffraction analysis
A new aluminum (III) complex was synthesized by the slow evaporation method at room temperature
Summary
The design and fabrication of novel multifunctional hybrid compounds are attracting increasing interest due to their broad applications in catalysis, evolution of organic materials-inorganic materials, electrochemistry, photochemistry, etc. [1] [2] [3] [4]. Aluminum-based compounds (III) have been used in biology, industry, medicine and even in agriculture [5] [6] [7] [8]. The oxalate group presents an excellent connector ligand for the complexation with different metal ions and a good hydrogen-bonding participant giving rise to different dimensional structures [9]. The organometallic compounds based on oxalato ligands have been studied intensively in coordination chemistry. The 5-methylbenzimidazole cation has shown up as an excellent template for building up supramolecular systems and for participating in hydrogen bonding interactions due to its donor/acceptor protons. We have focused our attention on the combination of this cation with aluminum metal ion and oxalic acid. It seemed interesting to investigate the structural, optical, and thermal, of our unreported complex when associating with 5-methylbenzimidazole ligands
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