Rovibrationally selected and resolved pulsed field ionization-photoelectron study of propyne : Ionization energy and spin-orbit interaction in propyne cation

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Author(s)

  • Xi Xing
  • Mi-Kyung Bahng
  • Beth Reed
  • C. S. Lam
  • C. Y. Ng

Detail(s)

Original languageEnglish
Article number094311
Journal / PublicationJournal of Chemical Physics
Volume128
Issue number9
Publication statusPublished - 2008
Externally publishedYes

Abstract

By using a high-resolution infrared (IR) laser to prepare propyne (C3H4) in selected rotational levels of the excited v1 (acetylenic C-H stretching) vibration mode prior to vacuum ultraviolet (VUV) laser pulsed field ionization-photoelectron (PFI-PE) measurements, we have obtained rotationally resolved VUV-PFI-PE spectra for the C3H4+ (2E3/2,1/2v1+=1) band. The analysis of these PFI-PE spectra leads to the determination of the spin-orbit constant of A=-13.0±0.2 cm-1 for the C3H4+ (2E3/2,1/2v1+=1) state. Using this A constant and the relative rotationally selected and resolved state-to-state photoionization cross sections thus measured, we have obtained an excellent simulation for the VUV-PFI-PE origin band of C3H4+ (2E3/2,1/2), yielding a value of 83 619.0±1.0 cm-1 (10.367 44±0.000 12 eV) for the adiabatic ionization energy of C3H4 [IE (C3H4)]. The present two-color IR-VUV-PFI-PE study has also made possible the determination of the C-H stretching frequencies v1+=3217.1±0.2 cm-1 for C3H4+ (2E3/2,1/2). The spectral assignment and simulation were guided by high-level ab initio calculations on the IE (C3H4), Franck-Condon factors for photoionization transitions, and rotational constants and vibrational frequencies for C3H4+. © 2008 American Institute of Physics.

Citation Format(s)

Rovibrationally selected and resolved pulsed field ionization-photoelectron study of propyne: Ionization energy and spin-orbit interaction in propyne cation. / Xing, Xi; Bahng, Mi-Kyung; Reed, Beth et al.
In: Journal of Chemical Physics, Vol. 128, No. 9, 094311, 2008.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review