THE INTERPRETATION OF INFRARED AND RAMAN SPECTRA USING A BINARY CLASSIFIER
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Publisher:Ohio State University
Using data from the recently published Sadtler Standard Raman Spectra, pattern recognition techniques were used to investigate digitized infrared and Raman spectra. Binary pattern classifiers were developed for several chemical classes, using both the infrared and the Raman spectra. High predictive abilities have been obtained in classifying unknown spectra. The vectors calculated for a particular class of compounds using several types of vibrational spectra have been compared in order to develop an aid in assigning vibrational frequencies. In addition, data developed by combining infrared and the several types of Raman spectra have been examined with this technique.
Author Institution: Department of Chemical Engineering and Chemistry, Newark College of Engineering