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An explanation of anomalous artifact intensity in fully 1 H– 1 H decoupled two‐dimensional chemical shift correlation spectroscopy
Author(s) -
Bain Alex D.,
Burton Ian W.,
Carpenter Katharine,
Reynolds William F.
Publication year - 1991
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.1260290406
Subject(s) - chemistry , artifact (error) , heteronuclear molecule , decoupling (probability) , intensity (physics) , methylene , proton , nuclear magnetic resonance spectroscopy , nuclear magnetic resonance , optics , physics , nuclear physics , stereochemistry , artificial intelligence , organic chemistry , control engineering , computer science , engineering
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.