紫外部における多成分吸収帯の近似的ピーク解析法の研究

抄録

A peak analysis method resolving overlapping bands in ultraviolet absorption spectra of organic compounds was presented. The method was based on the assumption that every component band can be expressed by the Gaussian function. Three parameters (E_0j, ν_0j, δ_j) were considered to be obtainable for each case by the method of least squares so as to resolve the observed spectrum as satisfactorily as possible. Application of the method to the spectra of salicylaldehyde azine, p-hydroxybenzaldehyde azine, and benzaldehyde azine showed that the method is useful. Theoretical transition energies and oscillator strengths of salicylaldehyde azine calculated by the semiempirical SCF-MO method of Pariser-Parr-Pople type were compared with the results of peak analysis.