scientific publication and books

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Browsing scientific publication and books by Author "Hafied, Meriem"

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    Synthesis, structural elucidation, spectroscopic, Hirshfeld surface analysis and theoretical simulation of a new adeninium orthoperiodate (1-) bis(hydrate) organic-inorganic hybrid crystals
    (Journal of Molecular Structure, 2020-08-17) Benali-Cherif, Rim; Takouachet, Radhwane; Falek, Wahiba; Benali-Cherif,Nourredine; Jelsch,Christian; Merazig, Hocine; Hafied, Meriem; Bendeif,El-Eulmi; Mokhnachi, Naima Bouslah; Taibi,Kamel
    One novel organic-inorganic hybrid supramolecular compound named Adeninium orthoperiodate (1-) bis(hydrate) (I) has been synthesized and characterized by FT-IR spectroscopy and single-crystal X-ray diffraction complemented with a quantum chemical study performed with DFT method at the B3LYP/3-21G level. The title compound crystallized in the monoclinic centrosymmetric P 21/n space group. In the molecular arrangement, the different entities are held together through the interplay of intermolecular O-H...N/O and N-H...O hydrogen bonds, that found to be effective in stabilizing the three-dimensional crystal packing