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The proton-conducting performances of a microporous Ti-based metal–organic framework (MOF), MIP-207, were successfully tuned using a multicomponent ligand replacement strategy to gradually introduce a controlled amount of sulfonic acid groups as a source of Brönsted acidic sites while keeping the robustness and ecofriendly synthesis conditions of the starting material. Typically, multivariate sulfonic-based solids MIP-207-(SO3H-IPA) x -(BTC)1–x were prepared by combining various ratios of trimesate 1,3,5-benzenetricarboxylate (BTC) moieties and 5-SO3H-isophthalate (SO3H-IPA). The best sulfonic-MOF candidate that combines structural integrity with high proton conductivity values (e.g., σ = 2.6 × 10–2 S cm–1 at 363 K/95% relative humidity) was further investigated using ab initio molecular dynamics simulations. These calculations supported that the −SO3H groups act as proton donors and revealed that the proton transfer mechanism results from the solvation structure of protons through the fast Zundel/hydronium interconversion along the continuous H-bonded network connecting the adsorbed water molecules.

A highly performing proton conducting composite was prepared through the impregnation of EMIMCl ionic liquid in the mesoporous MIL-101(Cr)-SO3H MOF. The resulting EMIMCl@MIL-101(Cr)-SO3H composite displays high thermal and chemical stability,...

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2005 Benzopyran derivatives R 0350 Dimethylsulfoxide-Iodine Catalyzed Deprotection of 2'-Allyloxychalcones: Synthesis of Flavones. -Iodine in DMSO is used as a weak oxidizing reagent combination to cause deallylation of 2-allyloxychalcones with concomitant cyclization to flavones (II). -(LOKHANDE*, P. D.; SAKATE, S. S.; TAKSANDE, K. N.; NAVGHARE, B.; Tetrahedron Lett. 46 (2005) 9, 1573-1574; Dep. Chem., Univ. Pune, Pune 411 007, India; Eng.) -Mais 24-128

The ZF-3 molecular crystal containing KCl ions pairs exhibits optimum humidity-sensitive performance in terms of ionic conductivity. Molecular Dynamics simulations evidence that the water-assisted conductivity behavior of ZF-3 results from...

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