Every year in September since 2008, the IQCC is organizing together with the Scientific Culture and Digital Communication (C4D) unit of the UdG, the Diputació de Girona and the Girona City Council the European Researchers’ Night with the aim to bring science closer to the Girona general public. The European Researchers’ Night is a coordianted
Institut de Química Computacional i Catàlisi
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News
The IQCC is starting a new event the networking IQCC. This activity will try to promote networking between the people of the all Institute (PIs, postdocs, PhD students, master students and staff). It will be a chemistry-free event, and it will consist of doing some different types of activities: excursions, sports activities, dinner, and others. It will take
A detailed study on the C(sp3)–H bond oxygenation reactions with H2O2 catalyzed by the [Mn(OTf)2(TIPSmcp)] complex at methylenic sites of cycloalkyl and 1-alkyl substrates bearing 19 different electron-withdrawing functional groups (EW FGs) was carried out. Oxidations in MeCN were compared to the corresponding ones in the strong hydrogen bond donating (HBD) solvents 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) and nonafluoro tert-butyl
Dr. Garcia-Borràs has been invited to write a highlight in the News & Views section of Nature Catalysis journal to describe the significance of a new-to-nature photobiocatalytic reaction developed by team led by Huimin Zhao at the University of Illinois at Urbana-Champaign, Binju Wang at Xiamen University, and Dongping Zhong at The Ohio State University.
Recently, Dr. Joan Serrano Plana, a former IQCC member, was appointed senior scientific editor by Nature Chemistry (Springer Nature). Joan completed his master’s degree and PhD thesis under the supervision of Dr. Anna Company and Prof. Miquel Costas, studying O2 activation and hydrocarbon oxidation by bioinspired iron and copper complexes. During that period, he was
Next Monday will be the defense of the doctoral thesis of Frederico Martins, titled “Density functional theory to the rescue of transition-metal chemistry”, supervised by Prof. Marcel Swart from IQCC. Place: Sala de Graus de la Facultat de Lletres Date: Monday October 09th, 2023 Time: 11.00am We wish him good luck and all the best! Girona, October 2, 2023 For
Next Friday will be the defense of the doctoral thesis of Pau Font Rubio, titled “Gold complexes based on (N,C) and (N,C,C) chelating ligands: ligand design and reactivity studies in cross-coupling catalysis”, supervised by Prof. Xavi Ribas from IQCC. Place: Sala de Graus de la Facultat de Dret Date: Friday October 06th, 2023 Time: 10.30am We wish him good luck
3D-aromatic compounds are scarce. The first known species with 3D-aromaticity were the closo boranes, such as [B10H10]2- or [B12H12]2- and derivatives. Not only closo boranes, but also carboranes, which result from single or double substitution of BH by isoelectronic CH+ units in closo boranes, are 3D-aromatic compounds. Apart from closo (car)boranes, fullerenes in certain spin
Chiral oxygenated aliphatic moieties are recurrent in biological and pharmaceutically relevant molecules, and constitute one of the most versatile type of functionalities for further elaboration. In this work, Arnau Call, Giorgio Capocasa, Andrea Palone, Laia Vicens, Eric Aparicio, Najoua Choukairi Afailal, Nikos Siakavaras, Maria Eugènia López Saló, Massimo Bietti and Miquel Costas report a protocol
Last month (August 27-31, 2023) took place the European Conference on Computational and Theoretical Chemistry 2023 (EuChemS CompChem) in Thessaloniki (Greece). Dr. Anton Stasyuk, postdoc researcher in the Prof. Miquel Solà group, presented a talk titled “Aromaticity controls the photoinduced electron transfer in host-guest complexes of nanohoops”, and won the best oral presentation in the Materials Design session. Congratulations