Comprehensive modified approaches to reducing the interference of moisture from an FTIR spectrum and the corresponding second derivative spectrum.

Spectrochim Acta A Mol Biomol Spectrosc

Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China. Electronic address:

Published: February 2023


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Article Abstract

We proposed a modified and improved approach to removing the interference of moisture from an IR spectrum and the corresponding second derivative spectrum. The temperature fluctuation in the air of the optical path and baseline-drift lead to the small but persistent presence of the interference of moisture. The problem has been successfully addressed by adopting a double-matching strategy. Additionally, two-dimensional correlationspectra (2D-COS) are generated using the second derivative or third derivative spectrum of the negative base 10 logarithms of the single-beam spectra, thereby removing the linear slope or quadratic portion of baseline-drift. Using the newly adopted approach, the residual interferences of moisture are attenuated. We applied the new approach to the IR spectra and the second derivative spectra of neat hexadecanol and biaxially oriented polypropylene (BOPP) film, and some promising preliminary results are obtained. In hexadecanol, two highly overlapping peaks at 1464 and 1463 cm are revealed. In BOPP, the envelope at 1458 cm is found to be composed of a number of sub-peaks.

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http://dx.doi.org/10.1016/j.saa.2022.122004DOI Listing

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