Tek Gökçen, Hamm Peter
Department of Chemistry, University of Zurich, CH-8057 Zurich, Switzerland.
J Phys Chem Lett. 2020 Aug 6;11(15):6185-6190. doi: 10.1021/acs.jpclett.0c01752. Epub 2020 Jul 20.
The asymmetry of Fano line shapes observed for metal-adsorbate systems is reflected in two-dimensional infrared (2D IR) spectroscopy as a distorted spectrum. A phenomenological correction scheme is proposed that transforms distorted 2D IR spectra into conventional spectra. To that end, a phase correction factor is first derived from the IR absorption spectrum of the sample by symmetrizing the asymmetric line shape and subsequently applied to the distorted 2D IR spectra. The concept is illustrated for a model system consisting of an organic molecule (-mercaptobenzonitrile) adsorbed on a sputter-coated metal layer (Au). The correction scheme reveals conventional, easily interpretable 2D IR spectra.
在金属 - 吸附质体系中观察到的Fano线形不对称性在二维红外（2D IR）光谱中表现为光谱畸变。本文提出了一种唯象校正方案，可将畸变的二维红外光谱转换为常规光谱。为此，首先通过使不对称线形对称化从样品的红外吸收光谱中导出相位校正因子，随后将其应用于畸变的二维红外光谱。该概念通过一个由吸附在溅射镀膜金属层（Au）上的有机分子（对巯基苯甲腈）组成的模型系统进行说明。校正方案得到了常规的、易于解释的二维红外光谱。
