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Insight into Resolution Enhancement in Generalized Two-Dimensional Correlation Spectroscopy

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Abstract:

Generalized two-dimensional correlation spectroscopy (2D-COS) can be used to enhance spectral resolution in order to help differentiate highly overlapped spectral bands. Despite the numerous extensive 2D-COS investigations, the origin of the 2D spectral resolution enhancement mechanism(s) is not completely understood. In the work here, we studied the 2D-COS of simulated spectra in order to develop new insights into the dependence of 2D-COS spectral features on the overlapping band separations, their intensities and bandwidths, and their band intensity change rates. We found that the features in the 2D-COS maps that are derived from overlapping bands were determined by the spectral normalized half-intensities and the total intensity changes of the correlated bands. We identified the conditions required to resolve overlapping bands. In particular, 2D-COS peak resolution requires that the normalized half-intensities of a correlating band have amplitudes between the maxima and minima of the normalized half-intensities of the overlapping bands.

Keywords: Normalized half-intensity; Overlapping bands; Resolution enhancement; Two-dimensional correlation spectroscopy

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/11-06541

Affiliations: Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA

Publication date: March 1, 2013

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