| Grant number: | 18/05691-5 |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| Start date: | June 01, 2018 |
| End date: | May 31, 2021 |
| Field of knowledge: | Physical Sciences and Mathematics - Astronomy - Astrophysics of the Interstellar Medium |
| Principal Investigator: | Francisco Bolivar Correto Machado |
| Grantee: | Rafael Mario Vichietti |
| Host Institution: | Divisão de Ciências Fundamentais (IEF). Instituto Tecnológico de Aeronáutica (ITA). Ministério da Defesa (Brasil). São José dos Campos , SP, Brazil |
Abstract Up to date, more than 200 different types of molecules, including isotopic varieties, were detected in interstellar environments. In this context, researches concerned to the discovery of new astromolecules along with kinetic studies able to indicate the most probable chemical routes for the formation of molecules in astrophysical media are important to help to understand the mechanisms favorable for the molecular synthesis in these so hostile media. According to this motivation, one objective of the current proposal is to employ the most advanced quantum chemistry methods, such as those from the Coupled Cluster Theory, to provide accurate data of electronic properties (optimized geometries, dipole moments, rotational constants, vibrational frequencies, or even fundamental infrared intensities) of molecules, in order to guide astronomers to detect new molecules in astrophysical environments. In turn, a kinetic study considering species already observed, as well as those not yet detected, in such scenarios may contribute to supply different thermochemical and kinetic parameters (for example, enthalpies, Gibbs energies, and rate constants) which can be relevant to explain abundances observed in the most varied interstellar regions and planetary atmospheres of the chemical species involved in the chemical processes intended to be studied. Our propose is to select reactions with rate constants not yet well characterized in the literature or even those whose chemical processes are not yet known. | |
| News published in Agência FAPESP Newsletter about the scholarship: | |
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