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Direct Evidence for Synchronicity between Rotation along C<superscript>α</superscript>−C′ and Pyramidalization of C′ in Amides.
In: ChemistrySelect, Jg. 8 (2023-05-05), Heft 17, S. 1-4
Online
academicJournal
Zugriff:
In amides, the presence of sinusoidal synchronicity between rotational motion along Cα−C′ σ‐bond (τ rotation) and the concomitant pyramidalization of C′ (θ) is evidenced for the first time in solution. Temperature‐dependent 1H NMR and DFT simulations on suitable amide models (iBui−−Proi−Xaai+1−OMe; iBu is isobutyryl) reveal the perturbation in synchronicity when τ‐rotation is 'locked' with interactions, resulting in a strain on the amide bond, which influences a decrease in energy barrier for the amide bond cis/trans isomerism by ∼1.68 kcal/mol. [ABSTRACT FROM AUTHOR]
| Titel: |
Direct Evidence for Synchronicity between Rotation along C<superscript>α</superscript>−C′ and Pyramidalization of C′ in Amides.
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| Autor/in / Beteiligte Person: | Banerjee, Shreya ; Gupta, Sunil K. ; Prabhakaran, Erode N. |
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| Zeitschrift: | ChemistrySelect, Jg. 8 (2023-05-05), Heft 17, S. 1-4 |
| Veröffentlichung: | 2023 |
| Medientyp: | academicJournal |
| ISSN: | 2365-6549 (print) |
| DOI: | 10.1002/slct.202301105 |
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