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.
N1 - Funding Information:
The reported study was funded by RFBR according to Research Project No. 18-29-04001. R.V.B. is grateful to the crew of Center for Computational Materials Science and E-IMR Center at the Institute for Materials Research, Tohoku University, for continuous support and also is thankful to the Ministry of Education, Culture, Sports, Science, and Technology of Japan (Grant No. 17H03122) for financial support. EPR studies were supported by FASO (0333-2017-0002). A.M.S. acknowledges RF President’s Grant MK-3272.2017.3 and FASO (0333-2017-0002). M.S. acknowledges support from the ERC (AdG 742041).
Publisher Copyright:
© 2019 American Chemical Society.
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
SN - 0020-1669
VL - 58
SP - 6811
EP - 6820
JO - Inorganic chemistry
JF - Inorganic chemistry
IS - 10
ER -