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

Journal Article · · Scientific Reports
 [1];  [2];  [2];  [2];  [2];  [2];  [3];  [2]; ORCiD logo [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Hamad Bin Khalifa Univ. (HBKU), Doha (Qatar)
  3. Qatar Univ., Doha (Qatar)
+ Show Author Affiliations

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

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1632069
Journal Information:
Scientific Reports, Vol. 10, Issue 1; ISSN 2045-2322
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

References (33)

Crystal structure of dicalcium potassium trihydrogen bis(pyrophosphate) trihydrate journal August 1993
Crystal growth, morphology, structure, and properties of HNaMP 2 O 7 crystals where M = Co and Ni journal June 1994
Crystallographic data on some hypophosphates and pyrophosphates journal January 1957
The crystal structure of disodium dihydrogen hypophosphate hexahydrate (Na2H2P2O6.6H2O) and disodium dihydrogen pyrophosphate hexahydrate (Na2H2P2O7.6H2O) journal February 1971
Structure cristalline de l'hydrogéno-pyrophosphate tripotassique trihydraté, K3HP2O7.3H2O journal August 1973
Synthesis, X-ray crystal structure and vibrational spectroscopy of the acidic pyrophosphate KMg0.5H2P2O7·H2O journal November 2003
KZn(HP 2 O 7 )·2H 2 O and KMn(HP 2 O 7 )·2H 2 O: acid pyrophosphate metallates(II) with layer structures journal May 2002
(NH 4 ) 2 [Co(H 2 P 2 O 7 ) 2 (H 2 O) 2 ] journal March 2005
(NH 4 ) 2 [Ni(H 2 P 2 O 7 ) 2 (H 2 O) 2 ] journal March 2005
Dipotassium zinc bis(dihydrogendiphosphate) dihydrate, K 2 Zn(H 2 P 2 O 7 ) 2 ·2H 2 O journal March 2003
Cobalt potassium dihydrogendiphosphate dihydrate, CoK 2 (H 2 P 2 O 7 ) 2 ·2H 2 O journal September 2002
A New Photoluminescent Co(II)-Diphosphate Cluster Templated by Fampridine Cation: Synthesis and Biophysicochemical Evaluation journal January 2016
Relative contributions of greenhouse gas emissions to global warming journal April 1990
Porous Materials and the Age of Gas journal June 2015
Adsorption Equilibria of CO 2 , CH 4 , N 2 , O 2 , and Ar on High Silica Zeolites journal November 2011
Combined Experimental and Theoretical Study on High Pressure Methane Solubility in Natural Deep Eutectic Solvents journal April 2019
Effects of Surface Heterogeneity on the Adsorption of CO 2 in Microporous Carbons journal January 2012
Determination of the Solid–Liquid Phase Diagram of the Binary System Acrylic Acid + Propionic Acid journal March 2012
Prediction of Breathing and Gate-Opening Transitions Upon Binary Mixture Adsorption in Metal−Organic Frameworks
  • Coudert, François-Xavier; Mellot-Draznieks, Caroline; Fuchs, Alain H.
  • Journal of the American Chemical Society, Vol. 131, Issue 32 https://doi.org/10.1021/ja904123f
journal August 2009
Carbon Dioxide Capture in Metal–Organic Frameworks journal September 2011
Carbon Dioxide Solubility in Phosphonium-, Ammonium-, Sulfonyl-, and Pyrrolidinium-Based Ionic Liquids and their Mixtures at Moderate Pressures up to 10 bar journal March 2017
Rheological, Thermodynamic, and Gas Solubility Properties of Phenylacetic Acid-Based Deep Eutectic Solvents journal March 2017
Gas solubility and rheological behavior study of betaine and alanine based natural deep eutectic solvents (NADES) journal April 2018
High-Pressure Methane, Carbon Dioxide, and Nitrogen Adsorption on Amine-Impregnated Porous Montmorillonite Nanoclays journal May 2016
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Ab initiomolecular dynamics for liquid metals journal January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Generalized Gradient Approximation Made Simple journal October 1996
Projector augmented-wave method journal December 1994
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data journal February 2009
Adsorption of CO 2 , CH 4 , and N 2 on Gas Diameter Grade Ion-Exchange Small Pore Zeolites journal November 2012

Figures / Tables (13)

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY