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Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH4)2Mg(H2P2O7)2•2H2O

journal contribution
submitted on 2024-07-04, 05:23 and posted on 2024-07-04, 08:58 authored by Rachid Essehli, Souhir Sabri, Fedwa El-Mellouhi, Brahim Aïssa, Hamdi Ben Yahia, Tausif Altamash, Majeda Khraisheh, Abdulkarem Amhamed, Brahim El Bali

We report on the successful synthesis of diammonium magnesium dihydrogendiphosphate (V) dihydrate compound (NH4)2Mg(H2P2O7)2•2H2O using a wet chemical route. Single crystal X-ray diffraction analysis and micro Raman spectroscopy are employed to characterize the compound. We demonstrate, using a multidisciplinary approach, that this compound is ideal for carbon dioxide (CO2) capture in addition to other anthropogenic gasses. We show here -from both an experimental as well as from a density functional theory (DFT) calculations routes- the potential for adopting this compound into domestic air-conditioning units (ACUs). From these experiments, the resistance to bacterial growth is also investigated, which is critical for the adoption of this compound in ACUs. Our compound exhibits a higher methane (CH4) sorptivity as compared to CO2 at 25 °C and 45 °C under pressures up to 50 bars. Furthermore, DFT electronic structure calculations are used to compute the main structural and electronic properties of the compound, taking into consideration the characteristics of the identified pores as a function of the progressive CO2 vs. CH4 loadings. Finally, the antibacterial assay reveals a strong antibacterial activity against the tested Gram-positive and Gram-negative bacteria, with a large zone of inhibition against the tested E. Coli, S. Aureus and K. Pneumonia.

Other Information

Published in: Scientific Reports
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Open Access funding provided by Hamad Bin Khalifa University, Qatar Environment and Energy Research Institute.

Oak Ridge National Laboratory, LLC (DE-AC05-00OR22725).

Qatar National Research Fund (NPRP11S-0117–180330), Light Management in Solar Cells using Fault-Tolerant Plasmonics and Metamaterials [MetaSol].



  • English


Springer Nature

Publication Year

  • 2020

License statement

This Item is licensed under the Creative Commons Attribution 4.0 International License.

Institution affiliated with

  • Hamad Bin Khalifa University
  • Qatar Environment and Energy Research Institute - HBKU
  • Qatar University
  • College of Engineering - QU