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Infrared Refraction Spectroscopy
Applied Spectroscopy ( IF 3.5 ) Pub Date : 2021-08-18 , DOI: 10.1177/00037028211036761
Thomas G Mayerhöfer 1, 2 , Vladimir Ivanovski 3 , Jürgen Popp 1, 2
Affiliation  

We suggest a new modality of infrared spectroscopy termed Infrared Refraction Spectroscopy, which is complimentary to absorption spectroscopy. The beauty of this new modality lies not only in its simplicity but also in the fact that it closes an important gap: It allows to quantitatively interpret reflectance spectra by simplest means. First, the refractive index spectrum is calculated from reflectance by neglecting absorption. The change of the refractive index is proportional to concentration, and the spectra with features similar to second derivative absorbance spectra can simply be computed by numerically deriving the refractive index spectra, something which can be easily carried out by standard spectra software packages. The peak values of the derived spectra indicate oscillator positions and are approximately proportional to the concentration in a similar way as absorbance is. In contrast to absorbance spectra, there are no baseline ambiguities for first derivative refractive index spectra, and in refractive index spectra, instead of integrating over a band area, a simple difference of two refractive index values before and after an absorption leads to a quantity that correlates perfectly linearly with concentration in the absence of local field effects.



中文翻译:

红外折射光谱

我们建议使用一种新的红外光谱模式,称为红外折射光谱,它是吸收光谱的补充。这种新模式的美妙之处不仅在于它的简单性,还在于它缩小了一个重要的差距:它允许通过最简单的方法定量解释反射光谱。首先,通过忽略吸收从反射率计算折射率光谱。折射率的变化与浓度成正比,具有类似于二阶导数吸收光谱特征的光谱可以简单地通过数值推导折射率光谱来计算,这可以通过标准光谱软件包轻松实现。派生光谱的峰值表示振荡器位置,并且与吸光度类似,与浓度成正比。与吸收光谱相反,一阶导数折射率光谱没有基线模糊,并且在折射率光谱中,不是在带区域上积分,吸收前后两个折射率值的简单差异导致一个量在没有局部场效应的情况下,与浓度完全线性相关。

更新日期:2021-08-19
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