Dynamic NMR: combined use of 1D selective EXSY and complete lineshape analysis of spectra subjected to reference deconvolution and linear prediction or the maximum entropy method

✍ Scribed by Nikolay G. Vassilev; Valentin S. Dimitrov

• Publisher: John Wiley and Sons
• Year: 2001
• Tongue: English
• Weight: 131 KB
• Volume: 39
• Category: Article
• ISSN: 0749-1581
• DOI: 10.1002/mrc.898

✦ Synopsis

Abstract

In dynamic NMR lineshape analysis and in handling other curve‐fitting problems, the quality of the adjusted parameters improves if the iterative procedure is constrained by introducing additional conditions. It is demonstrated on a simple model of a two‐site exchange system that in the complete lineshape analysis of spectra subjected to reference deconvolution and linear prediction or the maximum entropy method in combination with 1D EXSY experiments, the unknown parameters can be reduced to only one, the rate constant. This approach ensures excellent results for the activation parameters. It is also shown that 1D selective EXSY (1D SEXSY) experiments using E‐BURP pulses could successfully be used as a substitute to the more (experimentally) demanding 2D EXSY measurements. Copyright © 2001 John Wiley & Sons, Ltd.