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SF6 Negative Ion Formation in Charge Transfer Experiments
Publication . Kumar, Sarvesh; Hoshino, Masamitsu; Kerkeni, Boutheïna; Garcia, Gustavo; Ouerfelli, Ghofrane; Al-Mogren, Muneerah Mogren; Limão-Vieira, Paulo; CeFITec – Centro de Física e Investigação Tecnológica; DF – Departamento de Física; MDPI - Multidisciplinary Digital Publishing Institute
In the present work, we report an update and extension of the previous ion-pair formation study of Hubers, M.M.; Los, J. Chem. Phys. 1975, 10, 235–259, noting new fragment anions from time-of-flight mass spectrometry. The branching ratios obtained from the negative ions formed in K + SF6 collisions, in a wide energy range from 10.7 up to 213.1 eV in the centre-of-mass frame, show that the main anion is assigned to SF5− and contributing to more than 70% of the total ion yield, followed by the non-dissociated parent anion SF6− and F−. Other less intense anions amounting to <20% are assigned to SF3− and F2−, while a trace contribution at 32u is tentatively assigned to S− formation, although the rather complex intramolecular energy redistribution within the temporary negative ion is formed during the collision. An energy loss spectrum of potassium cation post-collision is recorded showing features that have been assigned with the help of theoretical calculations. Quantum chemical calculations for the lowest-lying unoccupied molecular orbitals in the presence of a potassium atom are performed to support the experimental findings. Apart from the role of the different resonances participating in the formation of different anions, the role of higher-lying electronic-excited states of Rydberg character are noted.
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Fundação para a Ciência e a Tecnologia
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OE
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PD/BD/142831/2018