Dynamics of the OH stretching mode in crystalline Ba(ClO4)2·3H2O

Daniel Hutzler, Christian Brunner, Petko St Petkov, Thomas Heine, Sighart F. Fischer, Eberhard Riedle, Reinhard Kienberger, Hristo Iglev

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3 Citations (Scopus)


The vibrational dynamics of the OH stretching mode in Ba(ClO4)2 trihydrate are investigated by means of femtosecond infrared spectroscopy. The sample offers plane cyclic water trimers in the solid phase that feature virtually no hydrogen bond interaction between the water molecules. Selective excitation of the symmetric and asymmetric stretching leads to fast population redistribution, while simultaneous excitation yields quantum beats, which are monitored via a combination tone that dominates the overtone spectrum. The combination of steady-state and time-resolved spectroscopy with quantum chemical simulations and general theoretical considerations gives indication of various aspects of symmetry breakage. The system shows a joint population lifetime of 8 ps and a long-lived coherence between symmetric and asymmetric stretching, which decays with a time constant of 0.6 ps.

Original languageEnglish
Article number054307
JournalJournal of Chemical Physics
Issue number5
Publication statusPublished - 2018 Feb 7

Bibliographical note

Publisher Copyright:
© 2018 Author(s).

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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