Uses of digital computers in theoretical analytical chemistry. I. Separation of a composite infrared band into two component peaks
- 1 December 1966
- journal article
- research article
- Published by Wiley in Journal of Oil & Fat Industries
- Vol. 43 (12) , 643-646
- https://doi.org/10.1007/bf02682560
Abstract
A procedure has been developed for representing an infrared absorption peak by a general mathematical form, not restricted to Gaussian or Lorentzian shape. A computer program using this procedure will be described for obtaining the individual components from an infrared band consisting of two overlapping peaks. The method is also applicable to other overlapping peaked curves, such as are obtained in chromatography, countercurrent distribution, x‐ray diffraction, and other branches of spectroscopy.Keywords
This publication has 3 references indexed in Scilit:
- The shapes and intensities of infrared absorption bands—A reviewSpectrochimica Acta, 1963
- Intramolecular effects on the fundamental hydroxyl stretching vibration in derivatives of fats and related compoundsJournal of Oil & Fat Industries, 1963
- Mathematical Resolution of Overlapping Spectral LinesJournal of the Optical Society of America, 1962