Abstract
The infrared spectra of most chemical compounds are unique and it is this feature that enables a spectroscopist to identify an unknown substance from its spectrum. Traditionally this identification is attempted either by direct interpretation or from a possible match to a standard reference spectrum. A positive match is obviously more desirable but this is usually limited by the availability of a wide range of reference spectra and, if performed manually, it can be a very time consuming operation. The ability of a computer to handle a large number of data files and to be able to perform high speed repetitive operations make it an ideal candidate for spectral searches. In fact, this was considered to be one of the first main applications of the computer for analytical chemistry.
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Coates, J.P., Hannah, R.W. (1984). Computer Based Infrared Search Systems. In: Theophanides, T. (eds) Fourier Transform Infrared Spectroscopy. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-6418-1_12
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DOI: https://doi.org/10.1007/978-94-009-6418-1_12
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