Banca de QUALIFICAÇÃO: DIEGO DE OLIVEIRA ROGÉRIO

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
DISCENTE : DIEGO DE OLIVEIRA ROGÉRIO
DATA : 27/07/2021
HORA: 14:00
LOCAL: Por participação remota
TÍTULO:

VUV induced photodissociation of the chloroacetone molecule studied by photoelectron-photoion coincidence spectroscopy

PÁGINAS: 13
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Química
SUBÁREA: Físico-Química
ESPECIALIDADE: Espectroscopia
RESUMO:

The dissociative photoionization dynamics of the chloroacetone molecule (C₃H₅OCl) in the gas phase, induced by
vacuum ultraviolet synchrotron radiation in the range from 10.85 to 21.50 eV, has been investigated by using time-of-flight mass spectrometry in the photoelectron-photoion coincidence mode. The appearance energies for the most relevant cation fragments produced in this energy range have been analyzed and the fragmentation pathways leading to the formation of the cation species have been proposed and discussed. The mass spectra show that the most dominant VUV photodissociation cation product appears at m/z 43 and has been assigned to the C₂H₃O⁺ species. Enthalpies of formation (Δ_fH°_0K) for the neutral chloroacetone molecule and its molecular cation have been derived and correspond to -207.8 ± 5.8 kJ/mol and 755.1 ± 6.8 kJ/mol, respectively. In addition to the spectral analysis, the structural and energetic parameters for the cations produced have also been examined on the basis of high-level quantum chemical numerical calculations.

MEMBROS DA BANCA:
Presidente - Interno ao Programa - 2604704 - ALEXSANDRE FIGUEIREDO LAGO
Membro Titular - Examinador(a) Interno ao Programa - 1864481 - HUEDER PAULO MOISES DE OLIVEIRA
Membro Titular - Examinador(a) Interno ao Programa - 1544403 - MAURICIO DOMINGUES COUTINHO NETO
Membro Suplente - Examinador(a) Interno ao Programa - 1544341 - WENDEL ANDRADE ALVES