Library Storage and Retrieval Methods in infrared Spectroscopy

The use of infrared (IR) spectroscopy as the method of choice for qualitative organic analysis is well established, from the days of the Infracord through to the Fourier transform (FT) instruments of today. IR predates most other forms of molecular spectroscopy as a useful tool for the analytical organic chemist. The unique fingerprinting and identification ability provided by an IR spectrum result from the fact that the peaks in the spectrum correspond to vibrational modes that are characteristic of the complete molecule and to other modes that are directly related to specific functional groups in the molecule. This combination of group frequencies and the well-known “fingerprint” region (1400–400 cm-1) in IR spectra has made comparison of an unknown spectrum to a standard spectrum from a reference material or a reference library a commonly accepted method for compound confirmation.