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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<jats:sub>2<\/jats: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-\u00a0the potential for adopting this compound into domestic air-conditioning\u00a0units\u00a0(ACUs). From these experiments, the resistance to bacterial growth is also\u00a0investigated, which is critical for the adoption of this compound\u00a0in ACUs. Our\u00a0 compound exhibits a higher methane (CH<jats:sub>4<\/jats:sub>) sorptivity as compared to CO<jats:sub>2<\/jats:sub> at 25\u2009\u00b0C and 45\u2009\u00b0C under pressures up to 50 bars. Furthermore,\u00a0DFT 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<jats:sub>2<\/jats:sub> vs. CH<jats:sub>4<\/jats: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 <jats:italic>E<\/jats:italic>. <jats:italic>Coli<\/jats:italic>, <jats:italic>S. Aureus<\/jats:italic> and <jats:italic>K. Pneumonia<\/jats:italic>.<\/jats:p>","DOI":"10.1038\/s41598-020-65718-2","type":"journal-article","created":{"date-parts":[[2020,6,1]],"date-time":"2020-06-01T10:03:14Z","timestamp":1591005794000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":16,"title":["Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH4)2Mg(H2P2O7)2\u20222H2O"],"prefix":"10.1038","volume":"10","author":[{"given":"Rachid","family":"Essehli","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Souhir","family":"Sabri","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fedwa","family":"El-Mellouhi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Brahim","family":"A\u00efssa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hamdi","family":"Ben Yahia","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tausif","family":"Altamash","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Majeda","family":"Khraisheh","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdulkarem","family":"Amhamed","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6926-6286","authenticated-orcid":false,"given":"Brahim","family":"El Bali","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2020,6,1]]},"reference":[{"key":"65718_CR1","doi-asserted-by":"publisher","first-page":"717","DOI":"10.1023\/A:1012330521865","volume":"35","author":"OI Andreeva","year":"2001","unstructured":"Andreeva, O. 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