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

Rachid Essehli; Souhir Sabri; Fedwa El-Mellouhi; Brahim Aïssa; Hamdi Ben Yahia; Tausif Altamash; Majeda Khraisheh; Abdulkarem Amhamed; Brahim El Bali

doi:10.1038/s41598-020-65718-2

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

Rachid Essehli, Souhir Sabri, Fedwa El-Mellouhi, Brahim Aïssa, Hamdi Ben Yahia, Tausif Altamash, Majeda Khraisheh, Abdulkarem Amhamed, Brahim El Bali

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Abstract

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.

Original language	English
Article number	8909
Journal	Scientific Reports
Volume	10
Issue number	1
DOIs	https://doi.org/10.1038/s41598-020-65718-2
State	Published - Dec 1 2020

Funding

Authors acknowledge the financial and technical support from Qatar Environment and Energy Research Institute (QEERI), Hamad Bin Khalifa University, Qatar Foundation. R.E. would like to thank Oak Ridge National Laboratory, managed by UT Battelle, LLC (DE-AC05-00OR22725) where part of this research was performed. B. Aïssa would like to thank the Qatar National Research Funds (a member of Qatar Foundation) for the NPRP grant #11S-0117–180330. R. Essehli and B. El Bali would also to thank I. Svoboda and H. Fuess (Technische Universität Darmstadt, Petersenstrasse 23, 64287 Darmstadt, Deutschland) for the crystal structure investigations, and Prof. Belaaouad Said for the in-depth Raman discussion.

Funders	Funder number
Hamad Bin Khalifa University, Qatar Foundation
Qatar Environment and Energy Research Institute
Qatar National Research Funds
Qatar Foundation	11S-0117–180330

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Cite this

Essehli, R., Sabri, S., El-Mellouhi, F., Aïssa, B., Ben Yahia, H., Altamash, T., Khraisheh, M., Amhamed, A., & El Bali, B. (2020). Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH₄)₂Mg(H₂P₂O₇)₂•2H₂O. Scientific Reports, 10(1), Article 8909. https://doi.org/10.1038/s41598-020-65718-2

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abstract = "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.",

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Essehli, R, Sabri, S, El-Mellouhi, F, Aïssa, B, Ben Yahia, H, Altamash, T, Khraisheh, M, Amhamed, A & El Bali, B 2020, 'Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH₄)₂Mg(H₂P₂O₇)₂•2H₂O', Scientific Reports, vol. 10, no. 1, 8909. https://doi.org/10.1038/s41598-020-65718-2

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AU - Sabri, Souhir

AU - El-Mellouhi, Fedwa

AU - Aïssa, Brahim

AU - Ben Yahia, Hamdi

AU - Altamash, Tausif

AU - Khraisheh, Majeda

AU - Amhamed, Abdulkarem

AU - El Bali, Brahim

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