Boron 1s photoelectron spectrum of 11BF3: Vibrational structure and linewidth

T. Darrah Thomas, Ralph Püttner, Hironobu Fukuzawa, Georg Prümper, Kiyoshi Ueda, Edwin Kukk, Rami Sankari, James Harries, Yusuke Tamenori, Takahiro Tanaka, Masamitsu Hoshino, Hiroshi Tanaka

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12 Citations (Scopus)


The boron 1s photoelectron spectrum of B11 F3 has been measured at a photon energy of 400 eV and a resolution of about 55 meV. The pronounced vibrational structure seen in the spectrum has been analyzed to give the harmonic and anharmonic vibrational frequencies of the symmetric stretching mode, 128.1 and 0.15 meV, as well as the change in equilibrium BF bond length upon ionization, -5.83 pm. A similar change in bond length has been observed for P F3 and Si F4, but a much smaller change for C F4. Theoretical calculations for B F3 that include the effects of electron correlation give results that are in reasonable accord with the experimental values. The Lorentzian (lifetime) width of the boron 1s core hole in B F3 is found to be 72 meV, comparable to the value of 77 meV that has been reported for C F4.

Original languageEnglish
Article number244309
JournalJournal of Chemical Physics
Issue number24
Publication statusPublished - 2007
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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