Published in

American Chemical Society, Journal of the American Chemical Society, 34(136), p. 11867-11869, 2014

DOI: 10.1021/ja507201t

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Ultrahigh-Resolution Total Correlation NMR Spectroscopy

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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. ; Ao0ix Times Cited:1 Cited References Count:29