1 December 1989 Advances In FT-IR Mixture Searching
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Proceedings Volume 1145, 7th Intl Conf on Fourier Transform Spectroscopy; (1989) https://doi.org/10.1117/12.969410
Event: Seventh International Conference on Fourier and Computerized Infrared Spectroscopy, 1989, Fairfax, VA, United States
Abstract
A popular method for identifying an unknown substance is to mathematically compare its infrared spectrum with a library of reference infrared spectra. The spectra of the best matches are then visually compared with the unknown spectrum in an attempt to discern the identity of the unknown substance. The assumption here is that when a reference spectrum for the unknown is contained in the library, that spectrum will appear as one of the top "hits" in the search. There are numerous factors, however, which can invalidate this assumption. Impurities at relatively high concentration levels can cause many problems including peak shifts due to chemical interactions, spurious peaks arising from isolated impurity absorbances, and shifts in relative peak heights due to impurity bands which coincide with the substance of interest.
© (1989) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Daniel T. Sparks, Daniel T. Sparks, Arthur Schlieper, Arthur Schlieper, John Peterman, John Peterman, } "Advances In FT-IR Mixture Searching", Proc. SPIE 1145, 7th Intl Conf on Fourier Transform Spectroscopy, (1 December 1989); doi: 10.1117/12.969410; https://doi.org/10.1117/12.969410
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