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Three‐dimensional NMR Spectroscopy of organic molecules by random sampling of evolution time space and multidimensional Fourier transformation
Author(s) -
Misiak Maria,
Koźmiński Wiktor
Publication year - 2007
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1945
Subject(s) - chemistry , heteronuclear single quantum coherence spectroscopy , heteronuclear molecule , two dimensional nuclear magnetic resonance spectroscopy , spectral line , nmr spectra database , time domain , fourier transform , analytical chemistry (journal) , sampling (signal processing) , nuclear magnetic resonance spectroscopy , computational chemistry , nuclear magnetic resonance , biological system , stereochemistry , quantum mechanics , physics , chromatography , optics , detector , computer science , computer vision , biology
In this communication we present the application of a new method, which enables one to acquire 3D NMR spectra in a reasonable time and preserves high resolution in indirectly detected domains. The new method is based on random distribution of time domain data points followed by Quaternion FT with respect to two time variables in one step. The experimental examples include three‐dimensional spectra of strychnine in CDCl 3 , TOCSY‐HSQC, COSY‐HMBC, and the new technique proposed here: heteronuclear single quantum multiple bond correlation (HSQMBC). The obtained spectra are compared to those recorded at the same time employing the conventional acquisition scheme. We show that high‐quality 3D spectra of organic compounds can be obtained in reasonable experimental time and that they are of great interest in cases when direct analysis of 2D spectra is difficult. Copyright © 2006 John Wiley & Sons, Ltd.