An Isoreticular Series of Metal–Organic Frameworks with Dendritic Hexacarboxylate Ligands and Exceptionally High Gas‐Uptake Capacity

Abstract

Holding gas: One of the isoreticular metal–organic frameworks (MOFs) that have been synthesized and characterized structurally, PCN‐68 (see structure), has a Langmuir surface area of as high as 6033 m2 g−1. The MOFs also display excellent gas (H2, CH4, and CO2) adsorption capacity.

Clicked Isoreticular Metal–Organic Frameworks and Their High Performance in the Selective Capture and Separation of Large Organic Molecules

“…[7b, 11, 12, 14] Theo verall N 2 uptake of MOF 1 was 809 cm 3 g À1 at 1atm and 77 K. Its Brunauer-Emmett-Teller (BET) surface area was calculated to be 3157 m 2 g À1 ,w hich is comparable to that of reported MOFs with as imilar framework, such as NTU-105, 11,12] MOF 2 showed higher N 2 uptake of 884 cm 3 g À1 at 1atm and 77 K, and aB ET surface area of 3529 m 2 g À1 .M OF 3 showed the highest N 2 uptake of 1123 cm 3 g À1 under the same conditions and the largest BET surface area of 4814 m 2 g À1 ,w hich is comparable to that of reported MOFs with asimilar framework, such as NOTT-119, NU-140, and PCN-68. [11,12] Thep ore-size distributions were calculated from the N 2 -sorption isotherms at 77 Konthe basis of nonlocal density functional theory.T he pore-size distributions showed two sharp peaks focused at 10.5 and 12 a nd abroad peak ranging from 16 to 21 for MOF 1,two peaks at 11 and 14 with abroad peak ranging from 18 to 23 for MOF 2,and two peaks at 11 and 15.5 with abroad peak ranging from 20 to 25 f or MOF 3 (Figure 2b). These results are consistent with the observations from the corresponding Figures S11-S15).…”

“…In the crystal structures,2 4i sophthalate moieties from organic ligands connect 12 {Zn 2 (OOCÀ) 4 }p addlewheel units to form am etal-organic cuboctahedron (cub-O h ), [11][12][13] three of which are connected by an organic linker to afford a(3,24)connected isoreticular rht-type framework (Figure 1b;s ee also Figures S2-S4). Thec uboctahedrons can be interconnected through clicked hexacarboxylate ligands to form two other types of metal-organic polyhedrons,t hat is,t runcated tetrahedrons (T-T d )a nd truncated octahedrons (T-O h ;F igure 1c).…”

Clicked Isoreticular Metal–Organic Frameworks and Their High Performance in the Selective Capture and Separation of Large Organic Molecules

“…[7b, 11,12] (Figure 1c). Structural analysis clearly showed that these isoreticular MOFs,e specially 3,p ossess pores that are accessible to large molecules.…”

“…[7b, 11, 12, 14] [11,12] Thep ore-size distributions were calculated from the N 2 -sorption isotherms at 77 Konthe basis of nonlocal density functional theory.T he pore-size distributions showed two sharp peaks focused at 10.5 and 12 a nd abroad peak ranging from 16 to 21 for MOF 1,two peaks at 11 and 14 with abroad peak ranging from 18 to 23 for MOF 2,and two peaks at 11 and 15.5 with abroad peak ranging from 20 to 25 f or MOF 3 (Figure 2b). These results are consistent with the observations from the corresponding .…”

Theoretical Insights into the Tuning of Metal Binding Sites of Paddlewheels in rht‐Metal–Organic Frameworks

“…The overall structure of rht-MOFs is characterized by having 24 edges of ac uboctahedron connectingw ith ah exatopic ligand having C 3 symmetry.M oreover, the overall framework of rht-MOFs consists of three distinct cages:c uboctahedron, truncated tetrahedron, and truncated octahedron (see FigureS1, Supporting Information, SI). [45,46,70] This rht-MOF is composed of 5,5',5''-benzene-Theoretical investigations of CO 2 sorption are performed in four members of the highly tunable rht-metal-organic framework (MOF) platform. They have been shown to exhibit high uptake capacities for energy-related gases,s uch H 2 , CO 2 ,and CH 4 .…”