Abstract
Resolution and sensitivity are paramount for extracting detailed structural information using NMR spectroscopy. Recently developed "pure shift" techniques have greatly improved the resolution attainable in one- and two-dimensional NMR, but at a considerable cost in sensitivity. A newly introduced method, PSYCHE, greatly reduces this loss. It produces pure shift spectra with significantly improved sensitivity, spectral purity, and tolerance of strong coupling compared to previous methods. Here PSYCHE is applied to the TOCSY experiment. In combination with covariance processing, the result is a high-quality, high-resolution TOCSY spectrum with singlets in both dimensions: a pure chemical shift correlation map. Such spectra should greatly simplify both manual spectral analysis and automated structure elucidation.
Highlights
Multiplet structure can arise from both homonuclear and heteronuclear couplings
In combination with covariance processing, the result is a high-quality, high-resolution TOCSY spectrum with singlets in both dimensions: a pure chemical shift correlation map
The most common methods use the Zangger and Sterk (ZS)[4] and BIRD7,8 pulse sequence elements, which are both based on dividing the 1H spins into active and passive subgroups that are manipulated differentially
Summary
Multiplet structure can arise from both homonuclear and heteronuclear couplings. The latter are relatively rare in homonuclear correlation, and if necessary they can be suppressed by broadband irradiation during acquisition and/or evolution. It produces pure shift spectra with significantly improved sensitivity, spectral purity, and tolerance of strong coupling compared to previous methods.
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