CV Lattes
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Universidade Federal de São Carlos (UFSCAR). Centro de Ciências Exatas e de Tecnologia (CCET) (Institutional affiliation from the last research proposal) Birthplace: Brazil
Computational and physical organic chemist interested in the study of NMR of small molecules, mechanisms of organic reactions, photochemistry, and intra- and intermolecular interactions in small molecules and supramolecular systems. The researcher seeks to understand, explain, and even predict spectroscopic properties and molecular stability/reactivity through computational simulations with the aim of proposing new theories, synthetic routes and experimental applications. (Source: Lattes Curriculum)
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Understanding how light induces chemical transformations at the molecular level is key to developing photochemical reactions that underlie the design of novel compounds and materials. In this Young Investigator project, we propose to investigate molecular reactivity concepts that enable the structural, magnetic, and mechanistic understanding of light-driven processes. Aim 1 explores the c…
This proposal is related to the application of quantum mechanics calculations to evaluate the influence of electronic density on the shielding tensor for 13C and 19F nuclei and for the coupling constants involving these nuclei with 1H. The decomposition analysis related to magnetic properties will be performed in terms of localized molecular orbitals, which should identify the mechanism i…
The project under evaluation involves the effects of stereoelectronic interactions on 13C NMR chemical shifts for molecules containing heavy atoms. It is proposed a description about how stereoelectronic interactions affect the Spin-Orbit component of the nuclear shielding tensor, which may be ascribed as responsible for heavy atom effects on 13C NMR. The joint experimental and theoretica…
Stereoelectronic interactions are commonly required to explain the stability of different compounds or the reactivity of some substrates. Moreover, these interactions are important to understand the effects of electron-donating and electron-withdrawing groups in aromatic systems, mainly related to resonance effects. Despite of these known interactions, the effect of some groups (e.g. nitr…
| 1 / 1 | Ongoing grants |
| 2 / 2 | Completed scholarships in Brazil |
| 1 / 1 | Completed scholarships abroad |
| 4 / 4 | All research grants and scholarships |
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