• ALI HARCHANI

      Articles written in Journal of Chemical Sciences

    • Synthesis, characterization, Hirshfeld surface and theoretical properties of (C ₇H ₁₀N) ₄ [H ₂P ₂Mo ₅O ₂ ₃] · H ₂O

      ALI HARCHANI MONIKA KUCˇ ERÁKOVÁ MICHAL DUŠEK AMOR HADDAD

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      The reaction of molybdic acid, phosphoric acid and copper(II) sulfate pentahydrate with m-toluidine in aqueous solution at room temperature furnished a new diphosphopentamolybdate (C ₇H ₁₀N) ₄ [H ₂P ₂Mo ₅O ₂ ₃] · H ₂O (1). A single-crystal X-ray diffraction study showed that the compound crystallizes in the triclinic crystal system with space group P − 1 and unit cell constants, a = 12.833 (3) Å, b = 13.9855 (4) Å, c = 14.9446 (4) Å, α = 64.607 (3)◦, β = 70.578 (2)◦, γ = 65.713 (3)◦. The sample was also analyzed by energydispersive spectroscopy (EDS), infrared spectroscopy (IR) andUV-visible spectroscopy. Using the refined atomic structure, Hirshfeld surface analysis and Semi-empirical calculations were performed to study the intermolecularinteractions and calculate theoretical properties of 1.

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