Gdańsk University of Technology, Department of Physical Chemistry, Narutowicza 11-12, Gdańsk 80-233, Poland.
Spectrochim Acta A Mol Biomol Spectrosc. 2019 Dec 5;223:117373. doi: 10.1016/j.saa.2019.117373. Epub 2019 Jul 11.
FTIR spectroscopy is one of the best techniques to study intermolecular interactions. However, such an application requires high quality spectra with as little noise as possible, which are often difficult to obtain. One of the main sources of unwanted interference is water vapor. Here a robust method is proposed for automatic, fast and reliable vapor correction of FTIR spectra. The presented least squares approach of vapor subtraction using many vapor spectra and a special residual function provides a much better correction. It does not rely on the researcher's experience, no coefficients are arbitrarily chosen or tweaked, thus such results are more trustworthy and accurate.
傅里叶变换红外光谱（FTIR）是研究分子间相互作用的最佳技术之一。然而，这种应用需要高质量的光谱，且尽可能少噪，这往往很难获得。水蒸气是产生不需要的干扰的主要来源之一。本文提出了一种用于 FTIR 光谱自动、快速和可靠的水汽校正的稳健方法。所提出的使用许多水汽光谱和特殊残差函数的最小二乘水汽扣除方法提供了更好的校正。它不依赖于研究人员的经验，不任意选择或调整系数，因此结果更可靠、更准确。
