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Direct Evidence for Synchronicity between Rotation along Cα−C′ and Pyramidalization of C′ in Amides.
- Source :
-
ChemistrySelect . 5/5/2023, Vol. 8 Issue 17, p1-4. 4p. - Publication Year :
- 2023
-
Abstract
- 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]
- Subjects :
- *COINCIDENCE
*AMIDES
*ACTIVATION energy
*ISOMERISM
*ROTATIONAL motion
Subjects
Details
- Language :
- English
- ISSN :
- 23656549
- Volume :
- 8
- Issue :
- 17
- Database :
- Academic Search Index
- Journal :
- ChemistrySelect
- Publication Type :
- Academic Journal
- Accession number :
- 163605020
- Full Text :
- https://doi.org/10.1002/slct.202301105