Infrared spectroscopy of propene in solid para-hydrogen and helium droplets: The role of matrix shifts in the analysis of anharmonic resonances

Gregory T. Pullen, Peter R. Franke, Yuan-Pern Lee, Gary E. Douberly*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The infrared spectrum of propene in the CH stretching region is complicated by anharmonic resonance polyads associated with the coupling of CH stretch fundamentals to overtones and combinations of CHn bends and CC stretches. We report the spectra of propene isolated in both helium nanodroplets (HENDI) and solid para-hydrogen (p-H2). Spectral assignments and anharmonic polyad memberships are obtained with a VPT2+K effective Hamiltonian. In the 2800–3120 cm−1 region, the average differential matrix shift in going from HENDI to p–H2 is ∼4.4 cm−1 to the red, with a standard deviation of 1.9 cm−1. Moreover, the choice of matrix environment influences the positions and intensity ratios of transitions within the resonance polyads. Two-state interaction models are used to confirm that differential matrix shifts less than 10 cm−1 are sufficient to account for the observed differences.

Original languageEnglish
Pages (from-to)7-14
Number of pages8
JournalJournal of Molecular Spectroscopy
Volume354
DOIs
StatePublished - 1 Dec 2018

Keywords

  • Anharmonic resonance polyads
  • Effective Hamiltonian calculations
  • Helium nanodroplet isolation
  • Para-Hydrogen matrix isolation
  • Propene infrared spectroscopy

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