Inherent Ethyl Acetate Selectivity in a Trianglimine Molecular Solid


He, Donglin ORCID: 0000-0002-5512-8162, Zhao, Chengxi, Chen, Linjiang, Little, Marc A, Chong, Samantha Y ORCID: 0000-0002-3095-875X, Clowes, Rob, McKie, Katherine, Roper, Mark G, Day, Graeme M, Liu, Ming ORCID: 0000-0003-0008-1480 et al (show 1 more authors) (2021) Inherent Ethyl Acetate Selectivity in a Trianglimine Molecular Solid. CHEMISTRY-A EUROPEAN JOURNAL, 27 (41). pp. 10589-10594.

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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 and Engineering > School of Physical Sciences
Depositing User: Symplectic Admin
Date Deposited: 10 May 2021 10:32
Last Modified: 06 Sep 2023 02:10
DOI: 10.1002/chem.202101510
Related URLs:
URI: https://livrepository.liverpool.ac.uk/id/eprint/3121620
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