In this research article, we describe a 4H+/4e– electron-coupled-proton buffer (ECPB) based on Cu and a redox-active ligand. The protonated/reduced ECPB (complex 1: [Cu(8H+/14e–)]1+), consisting of CuI with 2 equiv of the ligand (catLH4: 1,1?-(4,5-dimethoxy-1,2-phenylene)bis(3-(tert-butyl)urea)), reacted with H+/e– acceptors such as O2 to generate the deprotonated/oxidized ECPB. The resulting compound, (complex 5: [Cu(4H+/10e–)]1+), was characterized
Institut de Química Computacional i Catàlisi
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Month: September 2022
The aerobic oxidation of alkenes to carbonyls is an important and challenging transformation in synthesis. Recently, a new P450-based enzyme (aMOx) has been evolved in the laboratory to directly oxidize styrenes to their corresponding aldehydes with high activity and selectivity. The enzyme utilizes a heme-based, high-valent iron-oxo species as a catalytic oxidant that normally epoxidizes
Last week (Aug 28th to Sept 2nd 2022) took place the 19th International Conference on Density Functional Theory and its Applications in Burssels, which included a poster session. Gerard Comas, PhD student under the supervision of Dr. Pedro Salvador, presented a poster titled “Accurate 57Fe Mössbauer Parameters from General Gaussian Basis sets”, and won one
In this work, we propose specific electrolyte formulations for Na-ion batteries comprising linear and cyclic ether-based solvents and sodium trifluoromethanesulfonate salt that are thermally stable down to ?150?°C and enable the formation of stable solid electrolyte interphase at low temperatures. It shows the excellent performance of Na-ion batteries at very low temperatures, essential for their
During this week (Sep 4-7) there will be the second main event of the year: #ADHOC2022 at the “La Mercè” Auditorium organised by Bioinspired, Supramolecular and Catalysis Chemistry group (QBIS-CAT) of the Institute of Computational Chemistry and Catalysis (IQCC) from University of Girona. The International Symposium on Activation of Dioxygen and Homogeneous Oxidation Catalysis (ADHOC 2022) is a