Dynamic Diastereomerism on Chiral Surfaces

Autor:	Matysik, Sabine C, Wales, David J, Jenkins, Stephen J
Přispěvatelé:	Matysik, Sabine C [0000-0002-7305-5171], Wales, David J [0000-0002-3555-6645], Jenkins, Stephen J [0000-0001-9362-9665], Apollo - University of Cambridge Repository
Rok vydání:	2022
Předmět:	3403 Macromolecular and Materials Chemistry General Energy 34 Chemical Sciences C: Chemical and Catalytic Reactivity at Interfaces 3406 Physical Chemistry Physical and Theoretical Chemistry Article Surfaces Coatings and Films Electronic Optical and Magnetic Materials
Zdroj:	The Journal of Physical Chemistry C. 127:229-233
ISSN:	1932-7455 1932-7447
Popis:	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 analysed 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f7adb969c84c36ff14e38c4727bb28db https://doi.org/10.1021/acs.jpcc.2c06351 Zobrazit plný text záznamu