AI Article Synopsis
- β-lactams are a varied group of molecules known for their diverse biological effects.
- Recent studies showed interesting patterns in J coupling values, leading to an examination of these NMR parameters to distinguish between 3- and 4-monosubstituted β-lactams.
- Computational chemistry methods were utilized to further analyze the geometric and electronic factors causing the differences in substitution patterns.
Article Abstract
β-lactams are a chemically diverse group of molecules with a wide range of biological activities. Having recently observed curious trends in J coupling values in studies on this structural class, we sought to obtain a more comprehensive understanding of these diagnostic NMR parameters, specifically interrogating J, J, and J, to differentiate 3- and 4-monosubstituted β-lactams. Further investigation using computational chemistry methods was employed to explore the geometric and electronic origins for the observed and calculated differences between the two substitution patterns.
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| http://dx.doi.org/10.1002/mrc.5444 | DOI Listing |
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