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An explanation of anomalous artifact intensity in fully 1H–1H decoupled two-dimensional chemical shift correlation spectroscopy

✍ Scribed by Alex D. Bain; Ian W. Burton; Katharine Carpenter; William F. Reynolds

Publisher
John Wiley and Sons
Year
1991
Tongue
English
Weight
515 KB
Volume
29
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

Two‐dimensional heteronuclear chemical shift correlation experiments which attempt decoupling in f~1~ have been shown to give artifacts in strongly coupled systems. In particular, COLOC and HETRES experiments on methylene groups show an artifact midway between the two proton lines. This paper provides an explanation of the artifact intensity behaviour with respect to the strength of coupling between the methylene protons. Experimental results on 1,2‐dibromoethylbenzene are presented, and theoretical calculations were carried out on the COLOC experiment and a mathematical model was developed which predicted the artifact appearance and intensity. Simulations were also performed using the simulation program SIMPLTN to verify the experimental and theoretical results.

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