July 26, 2024
Journal Article
Optimal Spectral Resolution for Infrared Studies of Solids and Liquids
Abstract
Due to a legacy originating in the limited capability of early computers, the spectroscopic resolution used in Fourier transform infrared (FTIR) and other systems has largely been implemented using only powers of 2 for more than fifty years. In this study we investigate debunking the spectroscopic lore of e.g. using only 2, 4, 8 or 16 cm-1 resolution, and determine the optimal resolution in terms of both a) a desired signal-to-noise ratio and b) efficient use of acquisition time. The study is facilitated by the availability of newer solids and liquids reference spectral data recorded at 2.0 cm-1 resolution. The study is based on an examination in the 4000 – 400 cm-1 range of 61 liquids spectra and 70 solids spectra, with a total analysis of 4,237 spectral peaks, each of which was also examined for being singlet / multiplet in nature. Of the 1,765 liquid bands examined, only 27 had widths less than 5 cm-1. Of the 2,472 solid bands examined, only 39 peaks have widthsPublished: July 26, 2024