Cyclization reactions promoted by Pd/Cu Catalysts

Abstract

The complete understanding of reaction mechanisms at the molecular level, like the cyclization reactions promoted by palladium-based catalysts, is elementary for the proposition of new catalytical systems and the synthesis of new chemical compounds. Mass spectrometry is a powerful technique to study reaction intermediates, especially when used in combination with DFT calculations and IRMPD spectroscopy, as it has been used in our research group in Brazil. In the specific case of palladium mediated reactions, the development of mass spectrometry methods is a dauting task, not only due to the necessity of a controlled atmosphere for these reactions to proceed, but also due to the use of solvent and reaction media not compatibles with standard MS techniques. Therefore, the main goal of this work is to use mass spectrometry to study the reaction mechanism and reactive intermediates of the cyclization reactions of carbamates promoted by Pd. To achieve this goal, the current BEPE project proposes the realization of a 12-month appointment in Prof. McIndoe's group in Victoria, Canada, specialized in the evaluation of metal mediated mechanisms by mass spectrometry. This experience will allow the evaluation of a reaction mechanism relevant for the candidate Ph.D. work and open a new way to evaluate reactions that cannot be studied in Brazil, fostering the collaboration between the two groups, as Prof. McIndoe's research may benefit from the IRMPD spectroscopy instrumentation that has been developed in Brazil.