S. Manzini, A. Poater, D. J. Nelson, L. Cavallo, A. M. Z. Slawin, S. P. Nolan
Insights into the Decomposition of Olefin Metathesis Pre-catalysts
Angew. Chem. Int. Ed. 2014, 53, 8995–8999.
C. A. Urbina-Blanco,A. Poater,T. Lebl,S. Manzini, A. M. Z. Slawin,L. Cavallo,S. P. Nolan
The Activation Mechanism of Ru?Indenylidene Complexes in Olefin Metathesis
J. Am. Chem. Soc2013, 135, 7073-7079.
J. Bosson, A. Poater, L. Cavallo, S. P. Nolan
Mechanism of Racemization of Chiral Alcohols Mediated by 16-Electron Ruthenium Complexes
J. Am. Chem. Soc.2010, 132, 13146-13149.
A. Poater, F. Ragone, A. Correa, L. Cavallo
Exploring the Reactivity of Ru-Based Metathesis Catalysts with a ?-Acid Ligand Trans to the Ru-ylidene Bond
J. Am. Chem. Soc. 2009, 131, 9000-9006.
This research line has a very simple goal: get computationally a new catalyst or family of catalysts for any kind of organometallic reaction with some clear characteristics: more efficiency, cheaper, no toxic or less toxic than the available ones. DFT calculations together with tools such as the steric maps obtained thanks to the vBur parameter aim to fulfil this objective; together with a long list of international collaborators: S. P. Nolan, K. Grela, G. W. Coates, C. Slugovc, L. Cavallo, J.-M. Basset,… In particular, olefin metathesis is found to be a useful tool to generate drugs against hepatitis for example, by means of the synthesis of macrocycles; or the study of the polymerization by Co-based catalysis is of industrial interest.
This research line plans to find solutions for issues that create society concerns such the fixation of carbon dioxide, together with experiments carried out by Prof. S. P. Nolan or Prof. J.-M. Basset. The dual metal concerted catalysis is mandatory to fix CO2 and/or facilitate its transformation to other substances such as carbonates. On the other hand, the hydrogenation of CO2 by knölcker iron based catalysts is another way to reduce CO2 concentration. Last but not least, the generation of carbon free sources of energy, such as hydrogen, through water oxidation catalysis, in collaboration with Prof. A. Llobet or Prof. K. Takanabe, is explored.
PhD student (CONACYT)Supervisor:
The Institute of Computational Chemistry and Catalysis of the University of Girona organizes the 1st Science
The research team of IQCC formed by Miquel Solà, Juan Pablo Martínez, Pedro
In 2015, the IQCC organized for the first time the Science Slam, which
On 18 november 2016, Juan Pablo Martínez defended with success his PhD Thesis