AI Article Synopsis
- The study focuses on the binary complexes of amides and formaldehyde as models to understand how peptides interact with carbonyl groups.
- Observations of rotational spectra in a helium supersonic jet revealed unique hyperfine structures for each complex, linked to their stable conformations.
- The complexes are primarily stabilized by a strong N-H⋯O hydrogen bond and a weaker C-H⋯O interaction, with detailed analyses confirming the nature of these non-covalent interactions.
Article Abstract
The binary intermolecular complexes of amides and formaldehyde can be taken as suitable models to investigate the non-covalent interactions of a peptide with the carbonyl group. We herein studied the rotational spectra of the model complexes of 2-azetidinone-HCO and formamide-HCO generated in a helium supersonic jet. For each complex, one rotational spectra featuring hyperfine structures caused by the N quadrupole coupling effect was observed and assigned to its global minimum conformation. The detected isomers of both studied complexes are stabilized by a dominant amide hydrogen bond N-H⋯OC and a weaker C-H⋯O interaction, preferring the symmetry. NBO and SAPT analyses provide quantitative estimation of the non-covalent interactions stabilizing the complexes.
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| http://dx.doi.org/10.1039/d2cp04307f | DOI Listing |
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