A Microporous Multi-Cage Metal-Organic Framework for an Effective One-Step Separation of Branched Alkanes Feeds.

The improvement of the Total Isomerization Process (TIP) for the production of high-quality gasoline with the ultimate goal of reaching a Research Octane Number (RON) higher than 92 requires the use of specific sorbents to separate pentane and hexane isomers into classes of linear, mono- and di-branched isomers. Herein we report the design of a new multi-cage microporous Fe(III)-MOF (referred to as MIP-214, MIP stands for materials of the Institute of Porous Materials of Paris) with a flu-e topology, incorporating an asymmetric heterofunctional ditopic ligand, 4-pyrazolecarboxylic acid, that exhibits an appropriate microporous structure for a thermodynamic-controlled separation of hydrocarbon isomers. This MOF produced via a direct, scalable, and mild synthesis route was proven to encompass a unique separation of C5/C6 isomers by classes of low RON over high RON alkanes with a sorption hierarchy: (n-hexane≫n-pentane≈2-methylpentane>3-methylpentane)≫(2,3-dimethylbutane≈i-pentane≈2,2-dimethylbutane) following the adsorption enthalpy sequence.

Confined Water Cluster Formation in Water Harvesting by Metal-Organic Frameworks: CAU-10-H versus CAU-10-CH.

Several metal-organic frameworks (MOFs) excel in harvesting water from the air or as heat pumps as they show a steep increase in water uptake at 10-30 % relative humidity (RH%). A precise understanding of which structural characteristics govern such behavior is lacking. Herein, CAU-10-H and CAU-10-CH are studied with H, CH corresponding to the functions grafted to the organic linker.

Room-Temperature Solid-State Transformation of Na SnS ⋅ 14H O into Na Sn S ⋅ 5H O: An Unusual Epitaxial Reaction Including Bond Formation, Mass Transport, and Ionic Conductivity.

A highly unusual solid-state epitaxy-induced phase transformation of Na SnS  ⋅ 14H O (I) into Na Sn S  ⋅ 5H O (II) occurs at room temperature. Ab initio molecular dynamics (AIMD) simulations indicate an internal acid-base reaction to form [SnS SH] which condensates to [Sn S ] . The reaction involves a complex sequence of O-H bond cleavage, S protonation, Sn-S bond formation and diffusion of various species while preserving the crystal morphology.

Isoreticular Chemistry of Group 13 Metal-Organic Framework Compounds Based on V-Shaped Linker Molecules: Exceptions to the Rule?

Following the concept of isoreticular chemistry, we carried out a systematic study on Ga-containing metal-organic frameworks (MOFs) using six V-shaped linker molecules of differing sizes, geometries, and additional functional groups. The linkers included three isophthalic acid derivatives (-HBDC-R, R = CH, OCH, NHCOCH), thiophene-2,5-dicarboxylic acid (HTDC), and two 4,4'-sulfonyldibenzoic acid derivatives (HSDBA, DPSTA). The crystal structures of seven compounds were elucidated by a combination of model building, single-crystal X-ray diffraction (SCXRD), three-dimensional electron diffraction (3D ED), and Rietveld refinements against powder X-ray diffraction (PXRD) data.

An acetoxy functionalized Al(III) based metal-organic framework showing selective "turn on" detection of perborate in environmental samples.

Here, we have described the design, preparation and detailed characterization of a new acetoxy functionalized aluminium based metal-organic framework (MOF) called CAU-10-OCOCH3 (1) (CAU stands for Christian-Albrechts-University). The desolvated compound was employed for the detection of perborate in a pure aqueous environment. The presented MOF based perborate sensing probe (1) was synthesized by employing 5-acetoxyisophthalic acid and AlCl3·6H2O as the linker molecule and metal salt source, respectively, in DMF/H2O medium at 120 °C for 12 h.