Entries by groupdimocat

Issue 8 of volume 87 of the J. Org. Chem. contains the Back Cover and two manuscripts of DiMoCat group!

The Back Cover of issue number 8 of volume 87 refers to the recently published article “Successive Diels-Alder cycloadditions of cyclopentadiene to [10]CPP⊃C60”. The work has been carried out by Gerard Pareras, Sílvia Simon, Albert Poater and Miquel Solà, all (excepte Gerard) members of the DiMoCat group of the Institute of Computational Chemistry and Catalysis of the University […]

Prof. Slavko Radenković, visitor of the DiMoCat group

From 10 to 28 January, Prof. Slavko Radenković from the University of Kragujevac visited our research group to work with Prof. Miquel Solà. His research consisted in the determination of whether Baird’s rule is obeyed in boron clusters and on the aromaticity and singlet-triplet energy gap of metalla-acenes. It was a pleasure to have Slavko […]

DiMoCat group has recently been added as part of the XRE4S, a Catalan R+D+i Network Energy for Society.

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 […]

Prof. Dr. Oscar Jiménez-Halla, former PhD student of DiMoCat group, promoted to the highest research level in Mexico

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 […]

A new non-covalent interaction: the nido cage-···nido cage- interaction

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 […]

Electron transfer in a doubly curved nanographene upon supramolecular complexation of C60

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 […]

Photoinduced Reactions of C60 and C70 in Water

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 […]