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Combined Experimental and Theoretical Studies on Electron Transfer in Potassium Collisions with CCl 4

Regeta, K ; Kumar, S ; Cunha, T ; Mendes, M ; Lozano, A I ; Pereira, P J S ; García, G ; Moutinho, A M C ; Bacchus-Montabonel, M-C ; Limão-Vieira, P

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-04, Vol.124 (16), p.3220-3227 [Periódico revisado por pares]

United States: American Chemical Society

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  • Título:
    Combined Experimental and Theoretical Studies on Electron Transfer in Potassium Collisions with CCl 4
  • Autor: Regeta, K ; Kumar, S ; Cunha, T ; Mendes, M ; Lozano, A I ; Pereira, P J S ; García, G ; Moutinho, A M C ; Bacchus-Montabonel, M-C ; Limão-Vieira, P
  • Assuntos: Chemical Sciences ; Engineering Sciences ; Physics
  • É parte de: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-04, Vol.124 (16), p.3220-3227
  • Descrição: Negative ion formation in electron transfer experiments from fast neutral potassium (K) atom collisions with neutral tetrachloromethane (CCl ) molecules has been investigated in the laboratory frame range of 8-1000 eV. Comprehensive calculations on the electronic structure were performed for CCl in the presence of a potassium atom and used to help analyze the lowest unoccupied molecular orbitals participating in the collision process. Additionally, K energy loss produced in the forward direction has served to further our knowledge on the electronic state spectroscopy of CCl . A vertical electron affinity of -0.79 ± 0.20 eV has been obtained and assigned to a purely repulsive transition from CCl ground state to the T state of the temporary negative ion yielding Cl formation. Other features in the energy loss spectrum were observed for the first time and related to Cl , CCl , and CCl formation. Special attention is also given to the unresolved feature corresponding to a positive electron affinity of 0.24 ± 0.2 eV, assigned to a vibrationally hot transition from CCl ground state into the triply degenerate T excited state of the negative ion. The combined time-of-flight mass spectrometry together with K energy loss data represents the most comprehensive assignment of the tetrachloromethane anion yields and the role of CCl electronic states in collision induced dissociation to date.
  • Editor: United States: American Chemical Society
  • Idioma: Inglês
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  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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