Browsing Chemistry & Biochemistry by Author "Canuto, Sylvio"

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Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion

Canuto, Sylvio; Coutinho, Kaline; Cabral, Benedito J. C.; Zakrzewski, V. G.; Ortiz, J.V. (2021-01-26)

The experimental vertical electron detachment energy VEDE of aqueous fluoride, F− H2O , is approximately 9.8 eV, but spectral assignment is complicated by interference between F− 2p and H2O 1b1 orbitals. The electronic ...