| Grant number: | 17/18238-4 |
| Support Opportunities: | Scholarships in Brazil - Post-Doctorate |
| Effective date (Start): | June 01, 2018 |
| Effective date (End): | May 31, 2019 |
| Field of knowledge: | Physical Sciences and Mathematics - Chemistry - Physical-Chemistry |
| Principal Investigator: | Ataualpa Albert Carmo Braga |
| Grantee: | Ana Paula de Lima Batista |
| Host Institution: | Instituto de Química (IQ). Universidade de São Paulo (USP). São Paulo , SP, Brazil |
| Associated research grant: | 14/25770-6 - New frontiers in cross-coupling reactions promoted by palladium: combining enantioselective catalysis, C-H activations, new materials and in flux reactions aiming at high efficiency and sustainability in synthetic processes, AP.TEM |
Abstract Currently, most commercially available organic chemicals are derived from crude oil, a non-sustainable raw material that will be depleted at some point in the future. Catalytic C-H activation processes and the CO2 conversion processes that result in more reactive and value-added chemical species become a crucial way of reducing our dependence on petroleum reserves, thus reducing environmental impact. Catalysts based on metallic systems are important systems used in these conversions, but they need several additional modifications to efficiently promote more sustainable reactive routes. In this context, different computational techniques will be employed to perform a screening in order to upgrade existing catalysts or to develop potential new candidates for C-H and CO2 activation reactions. (AU) | |
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