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The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene

Authors
  • Alessandra, Candian
  • Xinchuan Huang
  • Elena, Maltseva
  • Annemieke, Petrignani
  • Jos, Oomens
  • Wybren Jan, Buma
  • Timothy J, Lee
  • Alexander Ggm, Tielens
  • Cameron J, Mackie
Type
Published Article
Journal
The Journal of Chemical Physics
Publisher
American Institute of Physics
Publication Date
Dec 14, 2015
Volume
143
Issue
22
Source
SETI Institute
License
Unknown

Abstract

Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with experimental spectra obtained under matrix isolation conditions. High-resolution gas-phase experimental spectroscopic studies have recently revealed that the double harmonic approximation is ...

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