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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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…
| 2 / 2 | Completed scholarships in Brazil |
| 1 / 1 | Completed scholarships abroad |
| 3 / 3 | All Scholarships |
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CV Lattes
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