Over 14 000 porous, three-dimensional metal–organic framework structures are compiled and analyzed as a part of an update to the Computation-Ready, Experimental Metal–Organic Framework Database (CoRE MOF Database). The updated database includes additional structures that were contributed by CoRE MOF users, obtained from updates of the Cambridge Structural Database and a Web of Science search, and derived through semiautomated reconstruction of disordered structures using a topology-based crystal generator. In addition, value is added to the CoRE MOF database through new analyses that can speed up future nanoporous materials discovery activities, including open metal site detection and duplicate searches. Crystal structures (only for the subset that underwent significant changes during curation), pore analytics, and physical property data are included with the publicly available CoRE MOF 2019 database.

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A highly efficient, direct C(sp 3 )−H cyanation was developed under mild photocatalytic conditions. The method enabled the direct cyanation of various C(sp 3 )−H substrates with excellent functional group tolerance. Notably, complex natural products and bioactive compounds were efficiently cyanated.

We report high experimental p-xylene (pX) selectivity in a pillar-layered metal−organic framework, DUT-8(Cu). Vapor-and liquid-phase adsorption experiments were carried out to confirm high pX selectivity and large pX uptakes in . Grand canonical Monte Carlo simulation results show that the presence of DABCO ligands allows for the packing of pX molecules and is responsible for the pX selective nature of the material. The simulation also suggests that the presence of isooctane solvents in the liquid-phase experiments plays an essential role by lowering the adsorption of other xylene isomers, and leads to increased pX selectivity in the liquid-phase as compared to the vapor phase. Density functional theory simulations show that the preferential arrangement is due to the preferential adsorption of pX on the DABCO ligand and the preferential adsorption of isooctane over other xylene isomers.

The capture and utilization of CO by 1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene (TBD) were performed in the absence of transition‐metal complexes. The reaction of TBD with CO afforded TBD‐CO adducts, which were converted to formylated TBD (TBD‐CHO). TBD‐CO adducts may include an interaction of CO with positively charged species based on NMR and IR analysis. In the presence of amines, CO was transferred from TBD‐CO to amines, producing formylated amines with good yields. The reaction mechanism involving TBD‐CO adducts is presented based on theoretical calculations.