Overtone spectroscopy of 3,3,3-trifluoropropyne

Carlos Manzanares I*, N. L.S. Yamasaki, Eric Weitz

*Corresponding author for this work

Research output: Contribution to journalArticle

11 Scopus citations

Abstract

Intracavity dye laser photoacoustic spectra have been obtained for overtone excitation of the C-H stretch (Δv1 = 4, 5, and 6) of gas-phase CF3O≡CH. Standard infrared techniques were used to obtain the fundamental and lower overtones (Δv1 = 1, 2, 3). The local-mode model is used to assign prominent peaks. For all transitions in the C-H stretching mode a band close in energy to the main absorption is observed and is assigned as a hot band (v1 = 0, v7 = 1) → (v1 = v, v7 = 1) for v = 1-6, which shows the strong interaction between the C-H stretching mode (v1) and the C-H bending mode (v7). Also the fundamental and lower overtones (Δv2 = 1, 2, 3) of the C≡C stretch are obtained. Harmonic frequencies (ωi) and anharmonicity constants (Xii) with i = 1 or 2 for C-H and C≡C bonds, respectively, are calculated. The off-diagonal local-mode - normal-mode anharmonicity constant X17 derived from the interaction between modes v1 and v7 is also reported. Peak absorption cross sections are obtained for v1 = 1-5 of CH absorptions and v1 = 1-3 of C≡C absorptions.

Original languageEnglish (US)
Pages (from-to)3953-3958
Number of pages6
JournalJournal of Physical Chemistry
Volume90
Issue number17
DOIs
StatePublished - Jan 1 1986

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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