RESUMEN
The efficient dirubidium cobalt bis(dihydrogendiphosphate) dihydrate compound is successfully synthesized in a solution and used as a reactive sorbent for the CO2 and CH4 gases adsorption and storage. A crystal of this Rb2Co(H2P2O7)2·2H2O compound has been isolated and characterized by single X-ray diffraction analysis and was found to crystallize in the triclinic system ( P 1 ¯ ) with the cell parameters (Å): 6.980(1), 7.370(1), 7.816(1), 81.74(1), 70.35(1), 86.34(1); V = 374.68(9) Å3, Z = 2. The crystal-packing consists of a three-dimensional framework made upon corners and edges sharing of [RbO7], [H2P2O7] and [CoO6] entities, furthermore linked by a network of H-bonds. The UV-Vis spectroscopy revealed usual transitions between the ground state 4T1g and the upper levels 4T2g, 4A2g and 4T1g (P). Moreover, the CO2 and CH4 gases sorption measurements were successfully performed at two different temperatures (25 and 45 °C) and various pressures ranging from vacuum to 50 bar. Our results show that rate of CO2 and CH4 capturing was 3.10 mmol/g and 2.35 mmol/g at temperature 25 °C and pressure 50 bar, respectively. This compound showed a clear potential for CO2/CH4 adsorption and storage thereby paving the way towards its exploration and adaptation for capturing and collecting carbon dioxide and greenhouse gases from the air, and their conversion into hydrocarbon fuels using existing mature technologies. We have also conducted density functional theory calculations to study the CO2 and CH4 adsorption properties of Rb2Co(H2P2O7)2·2H2O. The simulation results show enhanced adsorption of both types of molecules on the surface of the material.
RESUMEN
A new orthophosphate α-Na2Ni2Fe(PO4)3 was synthesized using a solid state reaction route, and its crystal structure was determined from powder X-ray diffraction data. The physical properties of α-Na2Ni2Fe(PO4)3 were studied by magnetic and electrochemical measurements and by Mössbauer and Raman spectroscopy. α-Na2Ni2Fe(PO4)3 crystallizes according to a stuffed α-CrPO4-type structure with the space group Imma and the cell parameters a = 10.42821(12), b = 13.19862(15), c = 6.47634(8) Å, and Z = 4. The structure consists of a 3D-framework of octahedra and tetrahedra sharing corners and/or edges with channels along [100] and [010], in which the sodium atoms are located. The (57)Fe Mössbauer spectrum indicates that the Fe(3+) cation is distributed over two crystallographic sites implying the presence of a Ni(2+)/Fe(3+) statistical disorder. Magnetic susceptibility follows the Curie-Weiss behavior above 100 K with θ = -114.3 K indicating the occurrence of predominant antiferromagnetic interactions. Electrochemical tests indicate that during the first discharge to 1 V vs. Na(+)/Na in a sodium cell, one Na(+) ion could be inserted into the α-Na2Ni2Fe(PO4)3 structure. This has led to the formation of a new phase Na3Ni2Fe(PO4)3 which was found to be promising as a positive electrode material for sodium batteries. When α-Na2Ni2Fe(PO4)3 is further discharged to 0.03 V, it delivers a capacity of 960 mA h g(-1). This corresponds to the intercalation of more than seven sodium atoms per formula unit which is an indication of a conversion-type behaviour with the formation of metallic Fe and Ni. When cycled in the voltage range 0.03-3 V vs. Na(+)/Na, at 20 °C, under the current rates of 50, 100, 200, and 400 mA g(-1), reversible capacities of 238, 196, 153, and 115 mA h g(-1), were obtained, respectively.
RESUMEN
The title compound, C(19)H(15)NO(6), contains a planar isoxazole ring. An intramolecular hydrogen bond is formed between the OH group attached to a phenyl ring and a carbonyl O atom.
RESUMEN
The title compound, 4,7-dioxa-10-thia-1,12,13-triazabicyclo[9.3.0]tetradeca-11,13-diene, C(8)H(13)N(3)O(2)S, contains an 11-membered ring, which appears in a chair conformation and has approximate mirror symmetry. It may be used for the complexation of metal atoms.
RESUMEN
The title compound, C(14)H(16)N(2)O(2), contains a diazepine ring, which appears in a boat conformation. An intramolecular hydrogen bond is formed between the NH group of the diazepine ring and a carbonyl O atom of one of the side chains.