2016
DOI: 10.1002/mrc.4385
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Observation of potentially troublesome2JCCcorrelations in 1,1-ADEQUATE spectra

Abstract: Despite the tremendous usage of HMBC to establish long-range (1) H-(13) C and (1) H-(15) N heteronuclear correlations, an inherent drawback of the experiment is the indeterminate nature of the (n) JXH correlations afforded by the experiment. A priori there is no reliable way of determining whether a given (n) JCH correlation is, for example, via two-, three-, or sometimes even four-bonds. This limitation of the HMBC experiment spurred the development of the ADEQUATE family of NMR experiments that rely on, in t… Show more

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Cited by 15 publications
(23 citation statements)
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“…In this report, we will show examples of commercially available pyrimidine analogs with different electronegative substituents to illustrate that relatively large 3 J CC correlations from position 2 to position 5 can be observed in 1,1‐ADEQUATE spectra with considerable intensity. The present study further expands our understanding of potential untoward n J CC correlations that may be observed in 1,1‐ADEQUATE spectra …”
Section: Introductionsupporting
confidence: 59%
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“…In this report, we will show examples of commercially available pyrimidine analogs with different electronegative substituents to illustrate that relatively large 3 J CC correlations from position 2 to position 5 can be observed in 1,1‐ADEQUATE spectra with considerable intensity. The present study further expands our understanding of potential untoward n J CC correlations that may be observed in 1,1‐ADEQUATE spectra …”
Section: Introductionsupporting
confidence: 59%
“…The intensities of correlations observed in the ADEQUATE spectra acquired for small molecules are primarily governed by the congruence of the actual carbon–carbon coupling constant and the delay optimization for the 1 J CC transfer, which is typically in the range of 40 to 60 Hz. As previously reported, large multiple‐bond correlations can give rise to observable correlations in 1,1‐ or 1,1‐HD‐ADEQUATE spectra . For aromatic compounds, such as pyrimidine derivatives, a good optimization delay for the 1 J CC transfer step would be 60 Hz due to the aromatic nature of the molecule.…”
Section: Resultsmentioning
confidence: 77%
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