Preparation, Characterization, and Theoretical Study of Nanoparticles of Triphenylphosphonium Tetrachloroaluminate(III) [P(C₆H₅)₃H]⁺[AlCl₄]⁻

Abstract

Triphenylphosphonium tetrachloroaluminate(III) [P(C 6 H 5 ) 3 H] + [AlCl 4 ] − , TPPTCA, nanoparticle was synthesized by using triphenylphosphonium chloride addition to AlCl 3 in the presence of surfactant. The product was characterized by spectroscopic and analytical methods such as 31 P-NMR, FT-IR, XRD, SEM, and CHN. Theoretical calculations were used for the structural optimization of this compound. The structure of compound has been calculated and optimized by the density functional theory (DFT) based method at B3LYP/6-311G levels of theory, using the Gaussian 03 package of programs. The comparison between theory and experiment is made. On the base of the application of scanning electron microscopy is showed about 54 nm particle sizes. INTRODUCTIONTransparent ceramics have recently acquired a high degree of interest and notoriety. Basic applications include lasers and cutting tools, transparent armor windows, night vision devices (NVD), and nose cones for heat seeking missiles. Currently available infrared (IR) transparent materials typically exhibit a trade-off between optical performance and mechanical strength. For example, sapphire (crystalline alumina) is very strong, but lacks full transparency throughout the 3-5 μm mid-IR range. Yttria is fully transparent from 3-5 μm, but lacks sufficient strength, hardness, and thermal shock resistance for highperformance aerospace applications. Not surprisingly, a combination of these two materials in the form of the yttria-alumina garnet (YAG) has proven to be one of the top performers in the field. It has been shown fairly recently that laser elements

Structures and Electronic Properties of Lithium Chelate-Based Ionic Liquids

“…Theoretical studies on pyridinium-based ILs by Zhang′s group and Guan′s group have shown that the anion was primarily located above, below, and on both sides of the pyridine ring plane, and liquid-phase calculation reduced the interionic interaction. For phosphonium or aluminum-based ILs, − only their structural data and comparisons between experimental and simulated infrared spectra were explored.…”