Vibrational assignment of phenazine and phenazine-d8: Crystal spectra in polarized light and force constants calculations

Spectra in polarized light have been obtained for two types of polycrystalline highly oriented films, one showing the crystal plane in the film plane, the other having a random axial orientation around the b crystal axis

N. Neto; F. Ambrosino; S. Califano

2002

Scholarcy highlights

  • Spectra in polarized light have been obtained for two types of polycrystalline highly oriented films, one showing the crystal plane in the film plane, the other having a random axial orientation around the b crystal axis
  • A zero order force constant calculation was made for the infrared active planar blocks B2u and B3u using a modified Urey-Bradley field, transferred from anthracene and pyrazine
  • The vibrational assignment of the infrared active fundamentals is discussed on the basis of the dichroic behaviour of the observed bands and of the prediction of the force field
  • The crystal field splitting of several bands has been studied in further details

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