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A Correction Scheme for Fano Line Shapes in Two-Dimensional Infrared Spectroscopy


Tek, Gökçen; Hamm, Peter (2020). A Correction Scheme for Fano Line Shapes in Two-Dimensional Infrared Spectroscopy. Journal of Physical Chemistry Letters, 11(15):6185-6190.

Abstract

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 (p-mercaptobenzonitrile) adsorbed on a sputter-coated metal layer (Au). The correction scheme reveals conventional, easily interpretable 2D IR spectra.

Abstract

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 (p-mercaptobenzonitrile) adsorbed on a sputter-coated metal layer (Au). The correction scheme reveals conventional, easily interpretable 2D IR spectra.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Scopus Subject Areas:Physical Sciences > General Materials Science
Physical Sciences > Physical and Theoretical Chemistry
Uncontrolled Keywords:General Materials Science
Language:English
Date:6 August 2020
Deposited On:02 Feb 2021 12:47
Last Modified:13 Jul 2021 00:00
Publisher:American Chemical Society (ACS)
ISSN:1948-7185
OA Status:Green
Publisher DOI:https://doi.org/10.1021/acs.jpclett.0c01752
PubMed ID:32659094

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