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Updated: Jan 9, 2026
Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Synthesis, structural characterization, spectroscopic analyses, DFT-modeling, and RDG-NCI assessment of
Lelfia Guelmami1,2, Mondher Dhifet3,4, Khadija Zaki5
1Laboratory of Functional Physiology and Valorization of Bio-Resources (UR17ES27) at the Higher Institute of Biotechnology of Beja (ISBB), University of Jendouba, Jandouba, Tunisia.
Abstract:
An organoammonium-dihydrogenphosphate compound (C7H11N2)H2PO4 was synthesized and characterized. The intra-and intermolecular interactions responsible for the stability of our compound within the crystal lattice have been thoroughly discussed. FT-IR spectroscopic analyses have confirmed the well atomic organization and stability of our compound. Using the RDG and NCI approaches, we identified strong N-H···O and O-H···H hydrogen bonds, along with notable van der Waals (vdW) interactions between the cationic units and the phosphate anion, confirming the key role of non-covalent forces in stabilizing the crystal structure. Intermolecular interactions were further elucidated by Hirshfeld surface analysis. Moreover, dispersion-corrected Density Functional Theory provided insights into chemical reactivity properties. The compound was also analyzed using solid-state spectroscopies. This contribution enhances the understanding of the structural diversity of organic-dihydrogenphosphate compounds.
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