Research output: Contribution to journal › Article › peer-review
Understanding Hysteresis in Carbon Dioxide Sorption in Porous Metal-Organic Frameworks. / Sapchenko, Sergey A.; Barsukova, Marina O.; Belosludov, Rodion V. et al.
In: Inorganic Chemistry, Vol. 58, No. 10, 20.05.2019, p. 6811-6820.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Understanding Hysteresis in Carbon Dioxide Sorption in Porous Metal-Organic Frameworks
AU - Sapchenko, Sergey A.
AU - Barsukova, Marina O.
AU - Belosludov, Rodion V.
AU - Kovalenko, Konstantin A.
AU - Samsonenko, Denis G.
AU - Poryvaev, Artem S.
AU - Sheveleva, Alena M.
AU - Fedin, Matvey V.
AU - Bogomyakov, Artem S.
AU - Dybtsev, Danil N.
AU - Schröder, Martin
AU - Fedin, Vladimir P.
PY - 2019/5/20
Y1 - 2019/5/20
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85066120811&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.9b00016
DO - 10.1021/acs.inorgchem.9b00016
M3 - Article
C2 - 31067041
AN - SCOPUS:85066120811
VL - 58
SP - 6811
EP - 6820
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 10
ER -
ID: 20158220