Descripción
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The S 2p core excitation spectrum of the SF5CF3 molecule has been measured in the total ion yield mode. It resembles a lot the analogous spectrum of SF6, also recorded in this study, displaying intense transitions to the empty molecular orbitals both below and above the S 2p ionization potential (IP) and weak transitions to the Rydberg orbitals. The S 2p photoabsorption spectra of SF6 and SF5CF3 have been calculated using time-dependent density functional theory, whereby the spin¿orbit coupling was included for the transitions below the S 2p IP. The agreement between experiment and theory is good for both molecules, which allows us to assign the main S 2p absorption features in SF5CF3. | |
Internacional
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Si |
JCR del ISI
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No |
Título de la revista
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Chemical Physics |
ISSN
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0301-0104 |
Factor de impacto JCR
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0 |
Información de impacto
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Volumen
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375 |
DOI
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Número de revista
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Desde la página
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101 |
Hasta la página
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109 |
Mes
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ENERO |
Ranking
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