Spectral Searching

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Abstract
Infrared Spectral Searching has progressed rapidly over the past two years since the last FT-IR Conference in Durham, England. In addition, if we compare the searching capabilities available to the Infrared Spectroscopist today with those that were available a short four years ago at the last North American Conference held in Columbia, South Carolina, then the advancements are even more impressive. In retrospect, I would describe the state-of-the-art in Spectral Searching at the 1981 FT-IR Conference as "Level 1 Searching", where the spectroscopist was limited to measuring a spectrum for his unknown material, and automatically searching it against very limited libraries at that time to obtain a search report. The report generally provided an ordered ranking of the best matches, chemical name, and a spectrum number so the reference spectrum could be located and reviewed in books. In 1981, there existed a total of three commercially available infrared search packages at the instrument level. Two of the packages were available for FT-IR instruments and the third was available on a dispersive instrument. Only the FT-IR packages allowed viewing the reference spectra on the CRT along with the unknown spectrum by automated spectral retrieval from the reference libraries stored on disk. However, the primary source of reference spectra was still predominantly hard copy.

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