Synthesis and Characterization of a New Halomercurate Nanoparticles: Triphenylphosphonium Trichloromercurate (II) [P (C6H5)3H]+[Hgcl3]-

That particles are of less than 100nm in diameter called nano particles (NPS) and there are in the world naturally like volcanic activity. In the present investigation a new mixed halomercurate nano particle compound was synthesised and characterized. Triphenylphosphonium trichloromercorate (II) [P(C6H5)3H]+[HgCl3]- nanoparticle was synthesi -zed by using triphenylphosphonium chloride reaction with HgCl2,in the presence of  trimercaptopropionic acid. This method is a simple and direct method. The product was characterized by spectroscopic and analytical methods such as 31P-NMR, scanning electron microscopy (SEM), infrared spectroscopy (IR) and also size of nanoparticles were calculated by X-ray diffraction (XRD). Average particles size of nano is showed about 89.83 nm Theoretical calculations were applied 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 09 package of programs. Finally, the comparison between theory and experiments are done.