Prof. Feliu Maseras
Group Leader:
Feliu Maseras
Group Administrative Coordinator:
Núria Vendrell
Postdoctoral Researchers:
Giuseppe Sciortino / Akhilesh Kumar Sharma / Bruna Sanchez Pladevall (until April)
PhD Students:
Raúl Perez Soto / Sara Lopez Resano / Lucía Moran Gonzalez / Marina Diaz / Eduardo García (Prof. Echavarren group) / Isabel Arranz (Prof. Echavarren group) / Jiale Xie (Prof. Pérez-Temprano group)
MSc student
Marc Nieto
Summer fellow
Dayana Galeas
Visiting students
Marc Nieto / Pablo Graf / Jean Thomas Pouzens
System Manager:
Martín Gumbau
Programmer:
Moisés Alvarez
Summary
The Prof. Maseras group applies computational chemistry to the study of the structure and reactivity of transition metal complexes, with special emphasis on homogeneous catalysis. Some of the reactions in which they have achieved the most relevant results are in cross-coupling and the activation of C-H links. The group works on oxidative coupling reactions, reductive coupling, organocatalysis, and photocatalysis. They are also interested in the application of statistical models to the treatment of massive amounts of computational results.
Publications
Origin of the selectivity in the ring-closing metathesis step of the synthesis of (−)-callyspongiolide: Formation of fourteen-versus eight-membered rings
Díaz-Ruiz, M.; Urbin, A.; Llorb, N.; Bosch, J.; Amat, M.; Maseras, F.
Tetrahedron 2022, 133016
Charge-Controlled Pd-Catalysis Enables the Meta-C–H Activation/ Olefination of Arenes
Mondal, A.; Díaz-Ruiz, M.; Deufel, F.; Maseras, F.; van Gemmeren, M.
ChemRxiv 2022
Mechanism and selectivity of photocatalyzed CO2 reduction by a function-integrated Ru catalyst
Zhang, Y. Q.; Li, Y. Y.; Maseras, F.; Liao, R. Z.
Dalton Trans. 2022, 51, 3747-3759
MORE PUBLICATIONS
Mechanistic Studies on the Synthesis of Pyrrolidines and Piperidines via Copper-Catalyzed Intramolecular C–H Amination
Muñoz-Molina, J. M.; Bafaluy, D.; Funes-Ardoiz, I.; de Aguirre, A.; Maseras, F., Belderrain, T. R.; Pérez, P. J.; Muñiz, K.
Organometallics 2022, 41 (9), 1099–1105
Introducing the Catalytic Amination of Silanes via Nitrene Insertion
Rodríguez, A. M.; Pérez-Ruíz, J.; Molina, F.; Poveda, A.; Pérez-Soto, R.; Maseras, F.; Díaz-Requejo, M.M.; Pérez, P. J.
Am. Chem. Soc. 2022
Projects
COMPSUSCHEM
Computational sustainable chemistry
Ministerio de Ciencia e Innovación | Ref: PID2020-112825RB-100 | Proyectos I+D – Retos
Beatriu de Pinós Grant
AGAUR | Ref: 2019BP00190
SGR (AGAUR)
2021 SGR 01257
Theses Supervised
Raúl Pérez Soto
July 29, 2022
Universitat Rovira i Virgili
Dithiocarbamates: new organic catalysts for the photochemical generation of radicals
Features
ACS recommends ioChem-BD
https://www.iciq.org/acs-recommends-iochem-bd/