|Title:||Genuine Pores in a Stable Zinc Phosphite for High H-2 Adsorption and CO2 Capture||Authors:||Chen, Ju-Ying
|Keywords:||ZEOLITIC IMIDAZOLATE FRAMEWORKS;METAL-ORGANIC FRAMEWORKS;ADSORBED SOLUTION THEORY;CARBON-DIOXIDE CAPTURE;HYBRID POROUS SOLIDS;MOLECULAR-SIEVE;HYDROGEN ADSORPTION;DESIGN||Issue Date:||7-Jun-2022||Publisher:||WILEY-V C H VERLAG GMBH||Journal Volume:||28||Journal Issue:||32||Source:||CHEM-EUR J||Abstract:||
An uncommon example of stable mixed-ligand zinc phosphite with genuine pores has been synthesized by using zinc metal, inorganic phosphite acid, thio-functionalized O-donor (2,5-thiophenedicarboxylate, TPDC), and tetradentate N-donor [1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene, TIMB] units assembled into one crystalline structure according to a hydro(solvo)thermal method. This is a very rare case of a metal phosphite incorporating both N- and O-donor ligands. The tetradentate TIMB linker bound to zinc atoms of the isolated zincophosphite hexamers to form a 3D open-framework structure by crosslinking structural components of 1D chains and 2D layers. Here, the TPDC ligand acts as a monodentate binding model to functionalize its porous structure with the uncoordinated S atom and COO- group. Interestingly, this compound demonstrates the highest H-2 storage capacity among organic-inorganic hybrid metal phosphates (and phosphites), and a good CO2 capture at 298 K compared with the majority of crystalline materials. The possible adsorption sites and selectivity for CO2 over H-2, N-2, and CO at 298 K were calculated by using density functional theory (DFT), the ideal adsorption solution theory (IAST), and fitting experimental pure-component adsorption data.
|Appears in Collections:||生命科學暨生物科技學系|
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