Mixed azomethine mononuclear copper (II) complexes of the type where, L = 1-phenyl-3-methyl-4-benzoylimine-2-pyrazolene-5-ol and L'˭acetylacetonimine or benzoylacetonimine or dibenzoylmethanimine or L = acetylacetonimine and L' = benzoylacetonimine or dibenzoylmethanimine or L = benzoylacetonimine and L' = dibenzoylmethanimine have been synthesised by the template method. The theoretical infrared and Raman spectra for the title compound have been constructed.
TheĬomputational structural parameters are generally in agreement with the experimental investigations. HOMO-LUMO properties and geometries of this compound have been determined and discussed. Geometry, harmonic vibrational frequencies, infrared intensities, and Raman scattering activities wereĬalculated using density functional theory (DFT/B3LYP) methods with the LanL2DZ basis set. Results and the theoretical group analyses carried out in the group of factors Ci.
The structure was solved from 3444 independent reflections with R = 0.0198 with wR= 0.0633.Theīands observed in the infrared and Raman spectra of Ba(H2PO4)2 are assigned based on the literature Showed that this compound crystallizes in the triclinic centrosymmetric with space group P-1 (Z=2) We are interested in the triclinic form from the vibrational and crystalline side too. This compound exists in two forms: one orthorhombic, the other triclinic. The single crystal of barium dihydrogenomonophosphate, Ba(H2PO4)2 was prepared by theĭirect method.
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