Classification of monosubstituted phenyl rings by parametric methods applied to infrared and raman peak heights

A statistical linear discriminant method is used to determine if a carbon, nitrogen or oxygen atom is bonded to a monosubstituted phenyl ring. A pattern vector is developed using peak heights of each of the seventeen active infrared and sixteen active Raman bands characteristic of the ring vibration. The Sadtler Standard Raman Spectra, which includes infrared spectra, served as the data base. The success rate is compared for the use of infrared data only. Raman data only and combined infrared and Raman data normalized by several possible methods.