Gupta, SK and Banerjee, S and Prabhakaran, EN (2022) van der Waals interactions to control amide cis-trans isomerism. In: New Journal of Chemistry .
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Official URL: https://doi.org/10.1039/d2nj01457b
Abstract
We discover the presence of local van der Waals (vdW) interactions at the cis amide bond in crystals of isobutyroyl-Pro-Val-OMe. By expanding this interaction volume, we demonstrate a corresponding sigmoidal increase in cis amide stabilization by up to −0.24 kcal mol−1. These vdW interactions exhibit a 60% contribution towards similar CH⋯π interaction energies.
Item Type: | Journal Article |
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Publication: | New Journal of Chemistry |
Publisher: | Royal Society of Chemistry |
Additional Information: | The copyright for this article belongs to the Royal Society of Chemistry. |
Keywords: | Stereochemistry; Van der Waals forces, Amide bond; Cis-trans isomerism; Interaction energies; Van Der Waals interactions, Amides |
Department/Centre: | Division of Chemical Sciences > Organic Chemistry |
Date Deposited: | 14 Jul 2022 10:28 |
Last Modified: | 14 Jul 2022 10:28 |
URI: | https://eprints.iisc.ac.in/id/eprint/74426 |
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