Extracting pure absorbance spectra in infrared microspectroscopy by modeling absorption bands as Fano resonances

J Chem Phys. 2019 Apr 21;150(15):154124. doi: 10.1063/1.5085207.

Abstract

Midinfrared absorbance spectra obtained from spatially inhomogeneous and finite samples often contain scattering effects characterized by derivative-like bands with shifted peak positions. Such features may be interpreted and accurately modeled by Fano theory when the imaginary part of the complex dielectric function is small and Lorentzian in nature-as is the case for many biological media. Furthermore, by fitting Fano line shapes to isolated absorbance bands, recovery of the peak position and pure absorption strength can be obtained with high accuracy. Additionally, for small and optically soft spherical scatterers, recovery of one or the other of constant refractive index or radius (given approximate knowledge of the other) is possible.