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Understanding hysteresis in carbon dioxide sorption in porous metal–organic frameworks

DOI: 10.1021/acs.inorgchem.9b00016 DOI Help

Authors: Sergey A. Sapchenko (Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences; Novosibirsk State University; University of Manchester) , Marina O. Barsukova (Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences; Novosibirsk State University) , Rodion V. Belosludov (Tohoku University) , Konstantin A. Kovalenko (Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences; Novosibirsk State University) , Denis G. Samsonenko (Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences; Novosibirsk State University) , Artem S. Poryvaev (Novosibirsk State University; International Tomography Center, Siberian Branch of the Russian Academy of Science) , Alena M. Sheveleva (Novosibirsk State University; International Tomography Center, Siberian Branch of the Russian Academy of Science) , Matvey V. Fedin (Novosibirsk State University; International Tomography Center, Siberian Branch of the Russian Academy of Science) , Artem S. Bogomyakov (Novosibirsk State University; International Tomography Center, Siberian Branch of the Russian Academy of Science) , Danil N. Dybtsev (Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences; Novosibirsk State University) , Martin Schroeder (University of Manchester) , Vladimir P. Fedin (Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences; Novosibirsk State University)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Inorganic Chemistry

State: Published (Approved)
Published: May 2019

Abstract: Two new isostructural microporous coordination frameworks [Mn3(Hpdc)2(pdc)2] (1) and [Mg3(Hpdc)2(pdc)2] (2) (pdc2– = pyridine-2,4-dicarboxylate) showing primitive cubic (pcu) topology have been prepared and characterized. The pore aperture of the channels is too narrow for the efficient adsorption of N2; however, both compounds demonstrate substantially higher uptake of CO2 (119.9 mL·g–1 for 1 and 102.5 mL·g–1 for 2 at 195 K, 1 bar). Despite of their structural similarities, 2 shows a typical reversible type I isotherm for adsorption/desorption of CO2, while 1 features a two-step adsorption process with a very broad hysteresis between the adsorption and desorption curves. This behavior can be explained by a combination of density functional theory calculations, sorption, and X-ray diffraction analysis and gives insights into the further development of new sorbents showing adsorption/desorption hysteresis.

Subject Areas: Chemistry, Materials, Environment


Instruments: I11-High Resolution Powder Diffraction

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