Synthetic Route of C10H14MoO6. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Bis(acetylacetonato)dioxomolybdenum(VI), is researched, Molecular C10H14MoO6, CAS is 17524-05-9, about Synthesis, spectral, FMOs and NLO properties based on DFT calculations of dioxidomolybdenum(VI) complex. Author is Parte, M. K.; Vishwakarma, P. K.; Jaget, P. S.; Maurya, R. C..
Mononuclear dioxidomolybdenum(VI) complex with N-(dehydroacetic acid)-salicylic acid hydrazide having the formula [MoVIO2(dha-sah)(CH3OH)] is reported. The complex was synthesized by reaction of [MoVIO2(acac)2] with the said ligand in 1:1 metal-ligand ratio in methanol. The complex was characterized by elemental anal., 1H and 13C NMR, FTIR, electronic absorption spectroscopic and powd. x-ray diffractometry studies. Assignments of mol. geometrical parameters, mol. electrostatic potentials, nonlinear optical properties and frontier MOs of the titled complex were performed with the Gaussian 09 software package using d. functional theory methods with B3LYP hybrid exchange-correlation functional and the standard LANL2DZ basis set. The exptl. spectral anal. was found in good agreement with the theor. results. The overall study revealed that the complex under study possesses a distorted octahedral geometry.
《Synthesis, spectral, FMOs and NLO properties based on DFT calculations of dioxidomolybdenum(VI) complex》 provides a strategy for the preparation of materials with excellent comprehensive properties, which is conducive to broaden the application field of this compound(Bis(acetylacetonato)dioxomolybdenum(VI))Synthetic Route of C10H14MoO6.
Reference:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts