Transition-metal-mediated reductive coupling of nitric oxide (NO(g)) to nitrous oxide (N2O(g)) has significance across the fields of industrial chemistry, biochemistry, medicine, and environmental health. Herein, we elucidate a density functional theory (DFT)-supplemented mechanism of NO(g) reductive coupling at a copper-ion center, [(tmpa)CuI(MeCN)]+ (1) {tmpa = tris(2-pyridylmethyl)amine}. At -110 °C in EtOH (<-90 °C in MeOH), exposing 1 to NO(g) leads
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During Feburary and March, six of the Master in Advanced Catalysis and Molecular Modelling (MACMoM) students will start a internship in Concentrol, Roberlo, Novartis and P&G company (Belgium) to perform their Master research project (TFM). Internship in a company is an optional module of the MACMoM Master, in which the students can perform a full-time
This coming Saturday (11th of February) is the International day of Women and Girls in Science. The IQCC has currently a rather favourable balance in gender ratio of staff members, both at the Master level (50%), PhD level (38%), postdocs (24%) and permanent researchers staff (29%). Notably, out of the 4 most recent permanent members,
A research project led by Sílvia Osuna, ICREA Professor at the Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG), has been funded with 2 million euros within the Consolidator Grant call of European Research Council (ERC). Research projects funded by the ERC have as main objective to provide the best
The University is closed (until Jan. 9), so all of the best for 2023 and until then: Happy holidays! Girona, December 24, 2022 For more info: gestor.iqcc@gmail.com
Last Thursday took place the XMas 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 will
The Journal of Physical Organic Chemistry features on its front cover the recently published editorial “Excited-state aromaticity and antiaromaticity special issue”. The first fifty years have passed since Colin Baird’s pioneering paper in 1972 on the aromaticity and antiaromaticity. The cover is designed by Sílvia Escayola. The corresponding editorial was published recently: H. Ottosson, B. Durbeej and
The Chemistry A European Journal features on its front cover the recently published research article “The Insertion of EII and EIV Chlorides (E=Si, Ge) into the Si?Si Bond of Disilylene”. Reactions of silicon and germanium dichlorides L?ECl2 (E=Si, L=IPr; E=Ge, L=dioxane) with the phosphinoamidinato-supported disilylene ({?2(N,P)-NNP}Si)2 resulted in formal tetrylene insertions into the Si?Si bond. In the
Last month, three PIs of the Institut de Químicia Computacional i Catàlisi (IQCC) were promoted to Full professor at the University of Girona: Prof. Lluís Blancafort, Prof. Miquel Costas and Prof. Xavi Ribas. Lluís Blancafort Lluís Blancafort received his degree in chemical engineering at the Institut Químic de Sarrià (Barcelona) in 1991. He obtained his PhD
One of the priorities of the IQCC is to strengthen the connections with industry, both nationally and internationally. Continuation of ongoing collaborative research efforts and initiating new joint projects are a high priority for the institute. Actually, there are several collaborations established with the private sector, some of them with the Osuna lab. In the last two