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Journal ArticleDOI

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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Heterogeneous catalyzed aryl-nitrogen bond formations using a valine derivative bridged metal-organic coordination polymer.

TL;DR: A new 1D macrocyclic copper(ii) coordination polymer, [Cu(2)] (, = N-(4-pyridyl)-d,l-valine), based on a valine derived ligand was synthesized and characterized by single-crystal X-ray diffraction studies.
Journal ArticleDOI

A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence

TL;DR: A robust porous pillar-chained 3D Cd-framework, Cd2(μ3-OH)2(cpt)2]·(H2O)n (1) (Hcpt = 4-(4-carboxyphenyl)-1,2,4-triazole), containing 1D square nanotubular channels with impressive selective selective sorption for CO2 over N2/H2 and interesting guest-driven tunable luminescence is reported in this article.
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Structure and physical properties of substituted malonate divalent metal coordination polymers with dipyridylamine co-ligands: acentric chain, herringbone layer, and novel binodal network topologies

TL;DR: In this article, three divalent metal coordination polymers and one molecular species containing 4,4′-dipyridylamine (dpa) and substituted malonate ligands have been prepared and structurally characterized by single crystal X-ray diffraction.
Journal ArticleDOI

Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir

TL;DR: In this article, a new tridentate ligand, N,N′, N′′-N′-tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide (L), yields a uniquely thin kagome-type network consisting of both nano-sized hexagonal (Cu6L6) and triangular (Cu3L3) motifs with the former as an effective reservoir for small alcohol molecules.
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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