Vibrational spectra and structure of 1,8-naphthalic anhydride

The vibrational spectrum of naphthalic anhydride (NA) is discussed. The 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 vibrational frequencies of NA were calculated using Gaussian-92 at RHF/6-31G(d) level of theory. Calculated frequencies, infrared and Raman intensities were used in the vibrational assignment of observed fundamentals. Molecular organization in films evaporated onto a smooth silver metal film is discussed in terms of surface selection rules for reflection-absorption infrared spectroscopy (RAIRS) measurements.