IR and Raman—Capturing the Artistry of Spectral Interpretation

Michael Boruta, Optical Spectroscopy Product Manager for ACD/Labs, has published a whitepaper and article on IR and Raman Spectroscopy. A summary and links to download both are provided below.

In the scientific world, information-sharing is one of the key factors in the advancement of science. In a corporate environment, it is common for individuals to gain detailed knowledge over time about the correlation between some spectral features and the materials they work with on a daily basis. This knowledge often exceeds the more general information available in textbooks. However, until recently, there has not been a method available to capture that specialized knowledge. It either resides in the mind of the individual or is sometimes handwritten on a chart and filed away—hardly useful to propagate knowledge-sharing throughout the corporate environment or to share with future spectroscopists.

The focus of the article and whitepaper is on a means of capturing spectrum-to-structure correlations for Raman and infrared spectra. The author discusses methods that can be used to obtain, archive, and retrieve this knowledge so that, once derived, it will remain a resource within the laboratory beyond the confines of individual analyst expertise. The aim of such a system is to not only capture the user’s own knowledge, but to combine it with the knowledge of colleagues to help the user make better decisions.