Last Friday, the IQCC organized a meeting to show the documentary Picture a Scientist and a round table with Assumpció Vila Simon, Anna Pla-Boix and Carme Font-Paz to highlight gender inequality in science during the Science Week. The film tells the stories of several prominent female researchers and brings to light the barriers that they encountered, including cases of discrimination
Institut de Química Computacional i Catàlisi
- sec.iqcc@udg.edu
- +34 972 41 83 57
News
Every year in November, the IQCC is organizing together with the Scientific Culture and Digital Communication (C4D) unit of the UdG some activities for Science Week with the aim to bring our science closer to the Girona general public. Last Friday, November 18, 2022, the Diada de Sant Albert took place at Science Faculty of UdG. The
Last Thursday, the IQCC organized the third edition of the IndustryQCC Forum with four national and international companies (Repsol, Eli Lilly, AstraZeneca and Pfizer) during the Science Week. The IndustryQCC Forums provide young (and more advanced) researchers of IQCC the opportunity to get to know the research carried out in (bio)chemical industry in different parts of
The trapping of the elusive vinylogous position of a vinyl carbene with an aliphatic Csp3-H bond has been achieved for the first time during a silver-catalyzed carbene/alkyne metathesis (CAM) process. A Tpx-containing silver complex first promotes the generation of a donor-acceptor silver carbene which triggers CAM, generating a subsequent donor-donor vinyl silver carbene species, which
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
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