Understanding Hysteresis in Carbon Dioxide Sorption in Porous Metal-Organic Frameworks

Sergey A. Sapchenko, Marina O. Barsukova, Rodion V. Belosludov, Konstantin A. Kovalenko, Denis G. Samsonenko, Artem S. Poryvaev, Alena M. Sheveleva, Matvey V. Fedin, Artem S. Bogomyakov, Danil N. Dybtsev, Martin Schröder, Vladimir P. Fedin

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)6811-6820
Number of pages10
JournalInorganic Chemistry
Issue number10
Publication statusPublished - 20 May 2019


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