Abstract
A computer simulation is applied on a model chemical system to study patterns of cross peaks in 2D synchronous spectrum generated by using orthogonal sample design scheme. Variations on different spectral parameters, such as peak position, bandwidth, and absorptivity, caused by intermolecular interactions result in rich and complex behavior in 2D synchronous spectrum. Subtle spectral variations that are hard to be observed in 1D spectra can be clear observed in 2D synchronous spectra. The results suggest that the cross peaks in 2D synchronous spectrum generated by using orthogonal sample design (OSD) can act as a resolution enhancement tool that can differentiate highly overlapping bands.
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