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Dynamic Diastereomerism on Chiral Surfaces

[Image: see text] Adsorption of chiral molecules on chiral surfaces implies diastereomerism, evident in the adoption of distinct adsorption geometries. We show here that this diastereomerism produces a signature in the motion of chiral molecules desorbing from a chiral surface. The rotations of S- a...

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Autores principales: Matysik, Sabine C., Wales, David J., Jenkins, Stephen J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841561/
https://www.ncbi.nlm.nih.gov/pubmed/36660097
http://dx.doi.org/10.1021/acs.jpcc.2c06351
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author Matysik, Sabine C.
Wales, David J.
Jenkins, Stephen J.
author_facet Matysik, Sabine C.
Wales, David J.
Jenkins, Stephen J.
author_sort Matysik, Sabine C.
collection PubMed
description [Image: see text] Adsorption of chiral molecules on chiral surfaces implies diastereomerism, evident in the adoption of distinct adsorption geometries. We show here that this diastereomerism produces a signature in the motion of chiral molecules desorbing from a chiral surface. The rotations of S- and R-alanine molecules are analyzed upon desorption from R-Cu{531} using first-principles molecular dynamics simulations. S-Ala molecules exhibit a larger angular momentum, with a clear preference for one rotational sense, whereas no such preference is observed for R-Ala molecules upon desorption from this surface. These trends would be reversed for desorption from the S-Cu{531} surface. Possible applications include chiral separation techniques and enantiospecific sensors.
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spelling pubmed-98415612023-01-17 Dynamic Diastereomerism on Chiral Surfaces Matysik, Sabine C. Wales, David J. Jenkins, Stephen J. J Phys Chem C Nanomater Interfaces [Image: see text] Adsorption of chiral molecules on chiral surfaces implies diastereomerism, evident in the adoption of distinct adsorption geometries. We show here that this diastereomerism produces a signature in the motion of chiral molecules desorbing from a chiral surface. The rotations of S- and R-alanine molecules are analyzed upon desorption from R-Cu{531} using first-principles molecular dynamics simulations. S-Ala molecules exhibit a larger angular momentum, with a clear preference for one rotational sense, whereas no such preference is observed for R-Ala molecules upon desorption from this surface. These trends would be reversed for desorption from the S-Cu{531} surface. Possible applications include chiral separation techniques and enantiospecific sensors. American Chemical Society 2022-12-30 /pmc/articles/PMC9841561/ /pubmed/36660097 http://dx.doi.org/10.1021/acs.jpcc.2c06351 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Matysik, Sabine C.
Wales, David J.
Jenkins, Stephen J.
Dynamic Diastereomerism on Chiral Surfaces
title Dynamic Diastereomerism on Chiral Surfaces
title_full Dynamic Diastereomerism on Chiral Surfaces
title_fullStr Dynamic Diastereomerism on Chiral Surfaces
title_full_unstemmed Dynamic Diastereomerism on Chiral Surfaces
title_short Dynamic Diastereomerism on Chiral Surfaces
title_sort dynamic diastereomerism on chiral surfaces
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841561/
https://www.ncbi.nlm.nih.gov/pubmed/36660097
http://dx.doi.org/10.1021/acs.jpcc.2c06351
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