Entries by groupdimocat

The aromaticity of boron clusters in the Front Cover of JACS!

The Journal of the American Chemical Society (JACS) features in its FRONT COVER the recently published article “Too Persistent to Give Up: Aromaticity in Boron Clusters Survives Radical Structural Changes”. The work has been carried out by Prof. Francesc Teixidor, Prof. Clara Viñas, and Dr. Ines Bennour of the Institute of Materials Science of Barcelona (ICMAB-CSIC), Prof. Jordi Poater […]

Aromaticity in Boron Clusters Survives Radical Structural Changes

Whereas the aromaticity of closo boranes is widely accepted, less is known about the aromaticity of nido boranes. This work carried out by Prof. Francesc Teixidor, Prof. Clara Viñas, and Dr. Ines Bennour of the Institute of Materials Science of Barcelona (ICMAB-CSIC), Prof. Jordi Poater at the University of Barcelona (previous DiMoCat member) and Sílvia Escayola […]

Discovered a new non-covalent interaction between boron nido clusters and aromatic rings

Exploration and comprehension of chemical bonding is one of the central tasks in chemistry. Here, a new non‐covalent interaction, a nido‐cage···π bond, is discovered in a collaborative work between Deshuang Du and Prof. Yan from Nanjing University and Prof. Jordi Poater at the University of Barcelona (previous DiMoCat member) and Prof. Miquel Solà from the […]

PhD Thesis by Dr. Albert Artigas

On 31st January 2020, Dr. Albert Artigas defended his PhD Thesis entitled: “Cyclization reactions for the functionalization of fullerenes: Experimental and theoretical studies” supervised by Prof. Anna Roglans, Prof. Miquel Solà and Dr Agustí Lledó from the DiMoCat group at IQCC. The members of the evaluation committee were Prof. Roser Pleixats from UAB acting as […]

Two new PhD students in the DiMoCat group

We have recently incorporated two new PhD students in our group with two cotutelle agreements. First, Daniel Eduardo Trujillo that will perform a theoretical study of the electronic structure and reaction mechanisms of reactions of multiple-bound boron compounds that can activate C-C and C-H bonds. Daniel will be supervised by J. Oscar C. Jimenez-Halla and […]

Two recent DiMoCat works highlighted by ChemistryWorld

ChemistryWorld has recently highlighted two works of our group: New rule predicts stabilising aromaticity in open-shell metal clusters. The jellium model assumes a uniform distribution of positive charge corresponding to the cluster atomic nuclei and their innermost electrons in which the interacting valence electrons move. The energy levels of valence electrons for such a model […]

Electro- and Photocatalytic CO2 to CO Reduction Mechanism with Cobalt Complexes

The burning of fossil fuels is causing a global climatic emergency. In order to solve this crisis, is very important to improve the efficiency of the production of renewable energies by transforming CO2 into carbon-based fuels. In this report, the member of the DIMOCAT Josep M. Luis in collaboration with the Julio Lloret group, determined […]