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Highly controlled acetylene accommodation in a metal–organic microporous material

TLDR
High levels of selective sorption of acetylene molecules as compared to a very similar molecule, carbon dioxide, onto the functionalized surface of a MOM are reported.
Abstract
Metal-organic microporous materials (MOMs) have attracted wide scientific attention owing to their unusual structure and properties, as well as commercial interest due to their potential applications in storage, separation and heterogeneous catalysis. One of the advantages of MOMs compared to other microporous materials, such as activated carbons, is their ability to exhibit a variety of pore surface properties such as hydrophilicity and chirality, as a result of the controlled incorporation of organic functional groups into the pore walls. This capability means that the pore surfaces of MOMs could be designed to adsorb specific molecules; but few design strategies for the adsorption of small molecules have been established so far. Here we report high levels of selective sorption of acetylene molecules as compared to a very similar molecule, carbon dioxide, onto the functionalized surface of a MOM. The acetylene molecules are held at a periodic distance from one another by hydrogen bonding between two non-coordinated oxygen atoms in the nanoscale pore wall of the MOM and the two hydrogen atoms of the acetylene molecule. This permits the stable storage of acetylene at a density 200 times the safe compression limit of free acetylene at room temperature.

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Citations
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Density Gradation of Open Metal Sites in the Mesospace of Porous Coordination Polymers

TL;DR: A rational design of stabilized high-porosity meso-PCPs is proposed, employing a low-symmetry ligand in combination with the shortest linker, formic acid, enabling highly selective and effective separation of C2H2 from C2h2/CO2 mixtures at 298 K, as verified by binding energy (BE) and electrostatic potentials (ESP) calculations.
Journal ArticleDOI

Design and syntheses of nano-structured ionic crystals with selective sorption properties

TL;DR: In this article, a review describes the design and synthesis of nano-structured ionic crystals with selective sorption properties, which can recognize small polar molecules such as alcohols, nitriles, and esters by the difference of one methylene chain.
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Polymeric zinc ferrocenyl sulfonate as a molecular aspirator for the removal of toxic metal ions.

TL;DR: The compounds described in this study may have potential applications in the design of new molecular devices and could be employed as a multi-ion analysis fluorescent probe to detect dangerous metal ions, such as Pb(2+), Cd( 2+), Ag(+), and Cu(2+.
Journal ArticleDOI

Zeolite ionic crystals assembled through direct incorporation of polyoxometalate clusters within 3D metal-organic frameworks.

TL;DR: 3D metal-organic framework formed by nickel(II) and 4,4'-bipyridine-N,N'-dioxide with the globular Keggin-structure [PW(12)O(4)](3-) anion as the template.
Journal ArticleDOI

Novel three-dimensional 3d–4f microporous magnets exhibiting selective gas adsorption behavior

TL;DR: Three microporous Ln-Co-pyta heterometallic compounds have interesting selective adsorption abilities towards H2/N2 and CO2/n2 because of size-selective effects; magnetic analysis reveals that has a ferromagnetic behavior.
References
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Journal ArticleDOI

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TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Special points for brillouin-zone integrations

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation.

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TL;DR: This work has shown that highly porous frameworks held together by strong metal–oxygen–carbon bonds and with exceptionally large surface area and capacity for gas storage have been prepared and their pore metrics systematically varied and functionalized.
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