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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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Unveiling the Transient Template in the Self-Assembly of a Molecular Oxide Nanowheel

TL;DR: The template’s role in the self-assembly mechanism is further confirmed by the deliberate addition of the template to the reaction mixture, which greatly accelerates the assembly time of the {Mo150} wheel and increases the yield.
Journal ArticleDOI

Noble Metals Can Have Different Effects on Photocatalysis Over Metal–Organic Frameworks (MOFs): A Case Study on M/NH2-MIL-125(Ti) (M=Pt and Au)

TL;DR: The elucidation of the mechanism on the photocatalysis over M/NH2-MIL-125(Ti) can provide some guidance in the development of new photocatalysts based on MOF materials and demonstrates the potential of using noble metal-doped MOFs in photoc atalytic reactions involving hydrogen as a reactant, like hydrogenation reactions.
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Microporous metal–organic frameworks with open metal sites as sorbents for selective gas adsorption and fluorescence sensors for metal ions

TL;DR: In this paper, two cluster-based microporous MOFs containing coordination unsaturated metal(II) sites were constructed from boxlike or cagelike {M3}x SBUs.
Journal ArticleDOI

Accessing Postsynthetic Modification in a Series of Metal-Organic Frameworks and the Influence of Framework Topology on Reactivity

TL;DR: Two new metal-organic frameworks (MOFs) that have structures isoreticular to reported MOFs that use 1,4-benzenedicarboxylic acid (BDC) as a building block are constructed and NH(2)-BDC can be used as a surrogate for BDC in a number of MOFs thereby providing a handle for postsynthetic modification.
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.

TL;DR: A way is found to visualize and understand the nonlocality of exchange and correlation, its origins, and its physical effects as well as significant interconfigurational and interterm errors remain.
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