XRE4S is a multidisciplinary and transversal ecosystem that gathers the expertise in the energy field on the main universities and research centers in Catalonia. The main goal is to promote the technology transfer and valorisation of energy technologies to industry and society. Actually, XRE4S involves 39 research groups in 14 academia centers with more than […]
On 12th January 2022, Prof. Dr. Oscar Jiménez-Halla of the University of Guanajuato has been promoted to the highest research level in Mexico, the so-called “Investigador Nacional Nivel III”, for his leadership in the academic community of the country, as well as for his participation in the formation of the scientific community. Congratulations Oscar! We are […]
Carboranes are boron–carbon clusters with important applications in fields of materials, catalysis, pharmaceuticals, etc. However, the non-covalent interactions that could determine the solid-state structures and properties of such boron clusters have been rarely investigated. Herein, inspired by the coordinate bond in metallacarborane or ferrocene, the boron cluster-based non-covalent interaction (denoted as cage–···cage– interaction) between two […]
In this work, we describe the formation of supramolecular complexes between fullerene C60 and a molecular nanographene endowed with both positive and negative curvatures. The presence of a corannulene moiety and the saddle shape of the molecular nanographene allows the formation of complexes with 1:1, 1:2, and 2:1 stoichiometries. The association constants for the three […]
Three types of water-soluble fullerene derivatives were prepared from their Prato adducts by conjugation with PEG. One Prato derivative of C60 ([6,6]-addition) and two Prato derivatives of C70 (ab-[6,6] and cc-[6,6]-addition) with carboxylic acids were synthesized, purified and subjected to the amide-forming conjugation with amine-PEG to form corresponding C60– or C70-PEG conjugates. All the conjugates showed photoinduced […]
On 19th June 2021, Karolina Urbanowicz started a visit of six weeks to the DiMoCat group financed by HPC-Europa3. The research project of Karolina, which is supervised by Dr. Antony J. Stasyuk and Prof. Miquel Solà, is primarily aimed at the investigation of conformational-property landscape in triplet photosensitizers derived from metal-free organoboron complexes with semi-rigid spiro […]
Starting 1st July 2021, Sergi Posada-Pérez has become a Juan de la Cierva-formación postdoc researcher of the Institute of Computational Chemistry and Catalysis (IQCC) working in the DiMoCat group. Sergio Posada-Pérez received his BSc in Chemistry and MSc in Theoretical Chemistry from the Rovira and Virgili University. The Master thesis was carried out under the supervision of Prof. […]
On 19th May 2021, the evaluation committee of the prizes to the best articles produced by Spanish PhD students in the area of Chemistry and Computation in 2020 were announced by the Computation and Chemistry specialized group of the Spanish Royal Society of Chemistry. To our delight, Dr. Jesús Antonio Luque Urrutia, former member of […]
On 11th May 2021, Dandan Chen defended with success her PhD thesis entitled “Theoretical Study on the Aromaticity of Metallacycles and All-Metal Clusters in the Lowest Triplet State” supervised by Prof. Jun Zhu (Xiamen University) and Prof. Miquel Solà (UdG). She was awarded with the title of doctor for the University of Xiamen and the […]