Inherent Ethyl Acetate Selectivity in a Trianglimine Molecular Solid

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He, Donglin, Zhao, Chengxi, Chen, Linjiang, Little, Marc A, Chong, Samantha Y ORCID: 0000-0002-3095-875X, Clowes, Rob ORCID: 0009-0002-4686-2119, McKie, Katherine, Roper, Mark G, Day, Graeme M, Liu, Ming et al (show 1 more authors) and Cooper, Andrew I (2021) Inherent Ethyl Acetate Selectivity in a Trianglimine Molecular Solid CHEMISTRY-A EUROPEAN JOURNAL, 27 (41). pp. 10589-10594. ISSN 0947-6539, 1521-3765

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Abstract

Ethyl acetate is an important chemical raw material and solvent. It is also a key volatile organic compound in the brewing industry and a marker for lung cancer. Materials that are highly selective toward ethyl acetate are needed for its separation and detection. Here, we report a trianglimine macrocycle (TAMC) that selectively adsorbs ethyl acetate by forming a solvate. Crystal structure prediction showed this to be the lowest energy solvate structure available. This solvate leaves a metastable, “templated” cavity after solvent removal. Adsorption and breakthrough experiments confirmed that TAMC has adequate adsorption kinetics to separate ethyl acetate from azeotropic mixtures with ethanol, which is a challenging and energy-intensive industrial separation.

Item Type:	Article
Uncontrolled Keywords:	crystal structure prediction, dynamic separation, macrocycles, molecular crystals, selective adsorption
Divisions:	Faculty of Science & Engineering > School of Physical Sciences
Depositing User:	Symplectic Admin
Date Deposited:	10 May 2021 10:32
Last Modified:	16 Jun 2026 09:24
DOI:	10.1002/chem.202101510
Related Websites:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3121620
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