Study of Vibronic Spectra of Tetrabenzoporphin Based on Normal-Coordinate Analysis

Abstract

Abstract The quasi-line fluorescence spectra have been measured and analyzed in detail for the molecules of tetrabenzoporphin and its N-deuterated derivative in n-octane. The calculations of the normal modes of these molecules have been carried out with the use of the valence force fields of porphin and phenanthrene. Sufficiently good agreement of the calculated and experimental frequencies of the modes has been obtained without variation of the force constants. Detailed interpretation of the fluorescence spectra is given.