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

研究成果: Article査読

11 被引用数 (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.

ジャーナルInorganic chemistry
出版ステータスPublished - 2019 5 20

ASJC Scopus subject areas

  • 物理化学および理論化学
  • 無機化学


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