Developing Correction Methods by Revisiting the Concept of Effective Thickness in Attenuated Total Reflection Spectroscopy.

IF 2.2 3区 化学 Q2 INSTRUMENTS & INSTRUMENTATION
Thomas G Mayerhöfer, Jürgen Popp
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引用次数: 0

Abstract

We propose a new way of deriving the effective thickness in attenuated total reflection (ATR) spectroscopy, initially introduced by Hansen and Harrick in 1965. While following Hansen's approach, our derivation is more straightforward and includes an intermediate approximation that more closely aligns with results derived from Fresnel's equations, particularly for organic and biological materials. Using this intermediate approximation, we present improved estimations for the effective thicknesses with s- and p-polarized light. These estimations enabled us to enhance a recently developed ATR correction scheme that relies on effective thickness. Additionally, we examined the wavelength dependence of the product of wavenumber and effective thickness, observing that it bears a resemblance to the refractive index function of the sample. This similarity increases with the angle of incidence and the refractive index of the ATR crystal. Based on this observation, we introduce a simple correction scheme using the Kramers-Kronig transformed absorbance. This correction has the potential to address spectral shifts, facilitating applications in pattern recognition and spectra identification.

通过重新审视衰减全反射光谱学中有效厚度的概念来开发校正方法。
我们提出了一种在衰减全反射 (ATR) 光谱中推导有效厚度的新方法,该方法最初由 Hansen 和 Harrick 于 1965 年提出。虽然沿用了 Hansen 的方法,但我们的推导更为直接,并包含了一个中间近似值,与根据菲涅尔方程得出的结果更为接近,特别是对于有机和生物材料。利用这一中间近似值,我们对 s 偏振光和 p 偏振光下的有效厚度进行了改进估算。这些估算结果使我们能够改进最近开发的基于有效厚度的 ATR 校正方案。此外,我们还研究了波长与有效厚度乘积的相关性,发现它与样品的折射率函数非常相似。这种相似性随着入射角和 ATR 晶体折射率的增加而增加。基于这一观察结果,我们引入了一种使用克拉默-克罗尼格转换吸光度的简单校正方案。这种校正有可能解决光谱偏移问题,从而促进模式识别和光谱鉴定方面的应用。
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来源期刊
Applied Spectroscopy
Applied Spectroscopy 工程技术-光谱学
CiteScore
6.60
自引率
5.70%
发文量
139
审稿时长
3.5 months
期刊介绍: Applied Spectroscopy is one of the world''s leading spectroscopy journals, publishing high-quality peer-reviewed articles, both fundamental and applied, covering all aspects of spectroscopy. Established in 1951, the journal is owned by the Society for Applied Spectroscopy and is published monthly. The journal is dedicated to fulfilling the mission of the Society to “…advance and disseminate knowledge and information concerning the art and science of spectroscopy and other allied sciences.”
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