Raman and infrared spectra, ab initio and DFT calculations, and vibrational assignments for 2,3-cyclopentenopyridine.

  title={Raman and infrared spectra, ab initio and DFT calculations, and vibrational assignments for 2,3-cyclopentenopyridine.},
  author={A. Al-Saadi and J. Laane},
  journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy},
  volume={71 2},
  • A. Al-Saadi, J. Laane
  • Published 2008
  • Chemistry, Medicine
  • Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
The structural properties of 2,3-cyclopentenopyridine (pyrindan) have been investigated using several spectroscopic and computational techniques. The Raman and infrared spectra of the molecule have been recorded and a full vibrational assignment was proposed on the basis of experimental and theoretical results. The vapor-phase Raman spectrum was successfully obtained at 260 degrees C without sample decomposition. Density functional theory (DFT) and Møller-Plesset (MP2) calculations predict that… Expand
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