F 1s spectroscopy and ionic fragmentation of trifluoropropyne

John J. Neville, Narayana P. Appathurai, Yongheng Fan, Samuel Odoh, Liu Yang

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The F 1s excitation spectroscopy and ionic fragmentation of 3,3,3-trifluoro-1-propyne have been studied using synchrotron radiation and ion time-of-flight mass spectrometry. The total ion yield spectrum and photoionization branching ratios in the vicinity of the F 1s ionization threshold are reported. Core excited state calculations using the static exchange approximation are used to aid in the interpretation of the experimental results. The F 1s excitation spectrum consists of a number of broad overlapping bands below threshold, attributed to excitations to mixed σ*(C-F)/ π*(C-C) molecular orbitals and unresolved Rydberg states, and a continuum shape resonance 12.5 eV above threshold. Ionic fragmentation following F 1s excitation or ionization results overwhelmingly in singly charged ionic fragments, primarily via cleavage of bonds to the fluorinated carbon atom adjacent to the core-excited atom.

Original languageEnglish (US)
Pages (from-to)761-768
Number of pages8
JournalCanadian Journal of Chemistry
Issue number8
StatePublished - Aug 1 2008


  • F 1s excitation
  • Ionic fragmentation
  • Photoelectron-photoion coincidence
  • Static exchange approximation


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