Structural Analysis Using Interferometric Data

Paul T. Richardson; James A. de Haseth

doi:10.1117/12.970809

20 December 1985 Structural Analysis Using Interferometric Data

Paul T. Richardson, James A. de Haseth

Proceedings Volume 0553, Fourier and Computerized Infrared Spectroscopy; (1985) https://doi.org/10.1117/12.970809
Event: 1985 International Conference on Fourier and Computerized Infrared Spectroscopy, 1985, Ottawa, Canada

Abstract

A technique utilizing Fourier domain data for the determination of structure features of compounds has been examined. By categorizing a large data set, similarities in Fourier domain data have been related to structural features. Predictions of molecular structure for a compound can be made by determining which categories its data most closely resemble. Due to the speed and simplicity of this technique, it appears to be feasible to perform structure elucidation in real time for use as a prefilter before a library search, or as confirmation after a library search.

Citation Download Citation

Paul T. Richardson and James A. de Haseth "Structural Analysis Using Interferometric Data", Proc. SPIE 0553, Fourier and Computerized Infrared Spectroscopy, (20 December 1985); https://doi.org/10.1117/12.970809

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