Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O
<p dir="ltr">We report on the successful synthesis of diammonium magnesium dihydrogendiphosphate (V) dihydrate compound (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<su...
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2020
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| _version_ | 1864513511818788864 |
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| author | Rachid Essehli (7455887) |
| author2 | Souhir Sabri (9553808) Fedwa El-Mellouhi (2011099) Brahim Aïssa (14157243) Hamdi Ben Yahia (9662822) Tausif Altamash (3846304) Majeda Khraisheh (1349376) Abdulkarem Amhamed (14778130) Brahim El Bali (269651) |
| author2_role | author author author author author author author author |
| author_facet | Rachid Essehli (7455887) Souhir Sabri (9553808) Fedwa El-Mellouhi (2011099) Brahim Aïssa (14157243) Hamdi Ben Yahia (9662822) Tausif Altamash (3846304) Majeda Khraisheh (1349376) Abdulkarem Amhamed (14778130) Brahim El Bali (269651) |
| author_role | author |
| dc.creator.none.fl_str_mv | Rachid Essehli (7455887) Souhir Sabri (9553808) Fedwa El-Mellouhi (2011099) Brahim Aïssa (14157243) Hamdi Ben Yahia (9662822) Tausif Altamash (3846304) Majeda Khraisheh (1349376) Abdulkarem Amhamed (14778130) Brahim El Bali (269651) |
| dc.date.none.fl_str_mv | 2020-06-01T00:00:00Z |
| dc.identifier.none.fl_str_mv | 10.1038/s41598-020-65718-2 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/journal_contribution/Single_crystal_structure_vibrational_spectroscopy_gas_sorption_and_antimicrobial_properties_of_a_new_inorganic_acidic_diphosphates_material_NH_sub_4_sub_sub_2_sub_Mg_H_sub_2_sub_P_sub_2_sub_O_sub_7_sub_sub_2_sub_2H_sub_2_sub_O/26144128 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Engineering Chemical engineering Environmental engineering Materials engineering Diammonium magnesium dihydrogendiphosphate Synthesis Single crystal X-ray diffraction Micro Raman spectroscopy Carbon dioxide (CO2) capture Methane (CH4) sorptivity Zone of inhibition |
| dc.title.none.fl_str_mv | Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O |
| dc.type.none.fl_str_mv | Text Journal contribution info:eu-repo/semantics/publishedVersion text contribution to journal |
| description | <p dir="ltr">We report on the successful synthesis of diammonium magnesium dihydrogendiphosphate (V) dihydrate compound (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O 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 (CO<sub>2</sub>) 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 (CH<sub>4</sub>) sorptivity as compared to CO<sub>2</sub> 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 CO<sub>2</sub> vs. CH<sub>4</sub> 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.</p><h2>Other Information</h2><p dir="ltr">Published in: Scientific Reports<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1038/s41598-020-65718-2" target="_blank">https://dx.doi.org/10.1038/s41598-020-65718-2</a></p> |
| eu_rights_str_mv | openAccess |
| id | Manara2_190feb8895a42df1c75a5ed74d1c7064 |
| identifier_str_mv | 10.1038/s41598-020-65718-2 |
| network_acronym_str | Manara2 |
| network_name_str | Manara2 |
| oai_identifier_str | oai:figshare.com:article/26144128 |
| publishDate | 2020 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>ORachid Essehli (7455887)Souhir Sabri (9553808)Fedwa El-Mellouhi (2011099)Brahim Aïssa (14157243)Hamdi Ben Yahia (9662822)Tausif Altamash (3846304)Majeda Khraisheh (1349376)Abdulkarem Amhamed (14778130)Brahim El Bali (269651)EngineeringChemical engineeringEnvironmental engineeringMaterials engineeringDiammonium magnesium dihydrogendiphosphateSynthesisSingle crystal X-ray diffractionMicro Raman spectroscopyCarbon dioxide (CO2) captureMethane (CH4) sorptivityZone of inhibition<p dir="ltr">We report on the successful synthesis of diammonium magnesium dihydrogendiphosphate (V) dihydrate compound (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O 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 (CO<sub>2</sub>) 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 (CH<sub>4</sub>) sorptivity as compared to CO<sub>2</sub> 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 CO<sub>2</sub> vs. CH<sub>4</sub> 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.</p><h2>Other Information</h2><p dir="ltr">Published in: Scientific Reports<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1038/s41598-020-65718-2" target="_blank">https://dx.doi.org/10.1038/s41598-020-65718-2</a></p>2020-06-01T00:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.1038/s41598-020-65718-2https://figshare.com/articles/journal_contribution/Single_crystal_structure_vibrational_spectroscopy_gas_sorption_and_antimicrobial_properties_of_a_new_inorganic_acidic_diphosphates_material_NH_sub_4_sub_sub_2_sub_Mg_H_sub_2_sub_P_sub_2_sub_O_sub_7_sub_sub_2_sub_2H_sub_2_sub_O/26144128CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/261441282020-06-01T00:00:00Z |
| spellingShingle | Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O Rachid Essehli (7455887) Engineering Chemical engineering Environmental engineering Materials engineering Diammonium magnesium dihydrogendiphosphate Synthesis Single crystal X-ray diffraction Micro Raman spectroscopy Carbon dioxide (CO2) capture Methane (CH4) sorptivity Zone of inhibition |
| status_str | publishedVersion |
| title | Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O |
| title_full | Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O |
| title_fullStr | Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O |
| title_full_unstemmed | Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O |
| title_short | Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O |
| title_sort | Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH<sub>4</sub>)<sub>2</sub>Mg(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>•2H<sub>2</sub>O |
| topic | Engineering Chemical engineering Environmental engineering Materials engineering Diammonium magnesium dihydrogendiphosphate Synthesis Single crystal X-ray diffraction Micro Raman spectroscopy Carbon dioxide (CO2) capture Methane (CH4) sorptivity Zone of inhibition |