TY - JOUR
T1 - A selenophene-incorporated metal–organic framework for enhanced CO2 uptake and adsorption selectivity
AU - Demakov, Pavel A.
AU - Volynkin, Sergey S.
AU - Samsonenko, Denis G.
AU - Fedin, Vladimir P.
AU - Dybtsev, Danil N.
PY - 2020/10
Y1 - 2020/10
N2 - A new metal–organic coordination polymer [Zn2(sedc)2(dabco)] (1se; sedc2− = selepophene-2, 5-dicarboxylate; dabco = 1,4-diazabicyclo[2.2.2]octane) was synthesized and characterized by single-crystal X-ray diffraction analysis. This MOF is based on {Zn2(OOCR)4N2} paddle wheels and is isoreticular to the family of [Zn2(bdc)2(dabco)] derivatives (1b; bdc2− = 1,4-benzenedicarboxylate) with pcu topology. The gas adsorption measurements revealed that 1se shows a 15% higher CO2 volumetric uptake at 273 K and 28% higher CO2 uptake at 298 K (both at 1 bar) compared to the prototypic framework 1b. Methane and nitrogen adsorption at 273 K was also investigated, and IAST calculations demonstrated a pronounced increase in CO2/CH4 and CO2/N2 selectivity for 1se, compared with 1b. For example, the selectivity factor for the equimolar CO2/CH4 gas mixture at 1 bar = 15.1 for 1se and 11.9 for 1b. The obtained results show a remarkable effect of the presence of selenium atom on the carbon dioxide affinity in the isoreticular metal–organic frameworks with very similar geometry and porosity.
AB - A new metal–organic coordination polymer [Zn2(sedc)2(dabco)] (1se; sedc2− = selepophene-2, 5-dicarboxylate; dabco = 1,4-diazabicyclo[2.2.2]octane) was synthesized and characterized by single-crystal X-ray diffraction analysis. This MOF is based on {Zn2(OOCR)4N2} paddle wheels and is isoreticular to the family of [Zn2(bdc)2(dabco)] derivatives (1b; bdc2− = 1,4-benzenedicarboxylate) with pcu topology. The gas adsorption measurements revealed that 1se shows a 15% higher CO2 volumetric uptake at 273 K and 28% higher CO2 uptake at 298 K (both at 1 bar) compared to the prototypic framework 1b. Methane and nitrogen adsorption at 273 K was also investigated, and IAST calculations demonstrated a pronounced increase in CO2/CH4 and CO2/N2 selectivity for 1se, compared with 1b. For example, the selectivity factor for the equimolar CO2/CH4 gas mixture at 1 bar = 15.1 for 1se and 11.9 for 1b. The obtained results show a remarkable effect of the presence of selenium atom on the carbon dioxide affinity in the isoreticular metal–organic frameworks with very similar geometry and porosity.
KW - Adsorption measurements
KW - Gas adsorption selectivity
KW - Porous metal–organic frameworks
KW - Selenophene
KW - X-ray diffraction studies
UR - http://www.scopus.com/inward/record.url?scp=85092056709&partnerID=8YFLogxK
U2 - 10.3390/molecules25194396
DO - 10.3390/molecules25194396
M3 - Article
C2 - 32987864
AN - SCOPUS:85092056709
VL - 25
JO - Molecules
JF - Molecules
SN - 1420-3049
IS - 19
M1 - 4396
ER -