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      https://www.ias.ac.in/article/fulltext/jcsc/129/10/1539-1547

    • Keywords

       

      Diphosphopentamolybdate; synthesis; crystal structure; physicochemical properties; theoretical study.

    • Abstract

       

      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.

    • Author Affiliations

       

      ALI HARCHANI1 MONIKA KUCˇ ERÁKOVÁ2 MICHAL DUŠEK2 AMOR HADDAD1

      1. Laboratoire de Matériaux, Cristallochimie et de Thermodynamique, Appliquée. Université Tunis El Manar, Faculté de Sciences de Tunis. Université de Monastir, Faculté des Sciences Monastir, 5019 Monastir, Tunisia
      2. Institute of Physics ASCR, Na Slovance 2, 182 21 Praha 8, Czech Republic

    • Dates

       
      Published
      23 October 2017
      Manuscript received
      1 June 2017
      Manuscript revised
      30 July 2017
      Accepted
      6 August 2017

    • Supplementary Material

       

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