Reactions that enable selective functionalization of strong aliphatic C–H bonds open new synthetic paths to rapidly increase molecular complexity and expand chemical space. Particularly valuable are reactions where site-selectivity can be directed toward a specific C–H bond by catalyst control. Herein we describe the catalytic site- and stereoselective ?-lactonization of unactivated primary C–H bonds in
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Two oxoiron(IV) isomers ( R2a and R2b) of general formula [FeIV(O)(RPyNMe3)(CH3CN)]2+ are obtained by reaction of their iron(II) precursor with NBu4IO4. The two isomers differ in the position of the oxo ligand, cis and trans to the pyridine donor. The mechanism of isomerization between R2a and R2b has been determined by kinetic and computational analyses
Last Thursday took place the Autumn edition of the IQCC Forum, a quarterly meeting-place where high-quality science is discussed. The IQCC Forum gives the opportunity for PhD and postdoc members of the IQCC to present their work to a select group of critical researchers, enhancing intra-IQCC collaborations and promoting knowledge exchange within the institute. This
Next Friday will be the defense of the doctoral thesis of Ernest Ubasart Clarà, titled “Synthesis and applications of large supramolecular nanocapsules: Matryoshka-type masks, higher fullerene C84 purification and stabilization of metallic clusters and sub-namoparticles”, supervised by Xavi Ribas from IQCC. Place: Aula Magna – Facultat de Ciències Date: October 28, 2022 Time: 10.30h We wish him good luck
Methods for regioselective N-methylation and -alkylation of unsaturated heterocycles with “off the shelf” reagents are highly sought-after. This reaction could drastically simplify synthesis of privileged bioactive molecules. Here we report engineered and natural methyltransferases for challenging N-(m)ethylation of heterocycles, including benzimidazoles, benzotriazoles, imidazoles and indazoles. The reactions are performed through a cyclic enzyme cascade that consists of
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
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