Angular distribution of different vibrational components of the X and B states reached after resonant Auger decay of core-excited H 2O: Experiment and theory

I. Hjelte, L. Karlsson, S. Svensson, A. De Fanis, V. Carravetta, N. Saito, M. Kitajima, H. Tanaka, H. Yoshida, A. Hiraya, I. Koyano, K. Ueda, M. N. Piancastelli

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Abstract

Vibrationally resolved spectra have been obtained for the lowest-lying cationic states X 2B 1, A 2A 1, and B 2B 2 of the water molecule reached after participator resonant Auger decay of core-excited states. The angular distribution has been measured of the first four vibrational components of the X state in the photon energy regions including the O 1s→4a 1 and the O 1s→2b 2 core excitations, and for different portions of the vibrational envelope of the B state in the photon energy region including the O 1s→2b 2 core excitation. For the X state, a large relative spread in β values of the different vibrational components is observed across both resonances. For the B state, a very different trend is observed for the high binding energy side and the low binding energy side of the related spectral feature as a function of photon energy. A theoretical method based on the scattering K matrix has been used to calculate both the photoabsorption spectrum and the β values, by taking both interference between direct and resonant photoemission and vibrational/lifetime interference into account. The numerical results show qualitative agreement with the trends detected in the experimental values and explain the conspicuous variations of the β values primarily in terms of coupling between direct and resonant photoemission by interaction terms of different sign for different final vibrational states.

Original languageEnglish
Article number084306
JournalJournal of Chemical Physics
Volume122
Issue number8
DOIs
Publication statusPublished - 2005

ASJC Scopus subject areas

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

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    Hjelte, I., Karlsson, L., Svensson, S., De Fanis, A., Carravetta, V., Saito, N., Kitajima, M., Tanaka, H., Yoshida, H., Hiraya, A., Koyano, I., Ueda, K., & Piancastelli, M. N. (2005). Angular distribution of different vibrational components of the X and B states reached after resonant Auger decay of core-excited H 2O: Experiment and theory. Journal of Chemical Physics, 122(8), [084306]. https://doi.org/10.1063/1.1850898