VIBRATIONAL-SPECTRA AND STRUCTURE OF 1,8-NAPHTHALIC ANHYDRIDE

The vibrational spectrum of naphthalic anhydride (NA) is discussed. Th e material was studied in thin solid films and in KBr and CsI pellets. Fundamental vibrational frequencies were observed using FT-Raman and FTIR transmission and reflection-absorption techniques. The harmonic v ibrational frequencies of NA were calculated using Gaussian-92 at RHF/ 6-31G(d) level of theory. Calculated frequencies, infrared and Raman i ntensities were used in the vibrational assignment of observed fundame ntals. Molecular organization in films evaporated onto a smooth silver metal film is discussed in terms of surface selection rules for refle ction-absorption infrared spectroscopy (RAIRS) measurements.