| Title: | Inherent Ethyl Acetate Selectivity in a Trianglimine Molecular Solid |
| Author(s): | He D; Zhao C; Chen L; Little MA; Chong SY; Clowes R; McKie K; Roper MG; Day GM; Liu M; Cooper AI; |
| Address: | "Department of Chemistry and Materials Innovation Factory, University of Liverpool, Liverpool, L7 3NY, UK. Key Laboratory for Advanced Materials and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai, 200237, China. Leverhulme Research Centre for Functional Materials Design, University of Liverpool, Liverpool, L7 3NY, UK. Hiden Isochema Ltd., Warrington, WA5 7TS, UK. Computational Systems Chemistry, School of Chemistry, University of Southampton, Southampton, SO17 1BJ, UK" |
| ISSN/ISBN: | 1521-3765 (Electronic) 0947-6539 (Print) 0947-6539 (Linking) |
| 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" |
| Keywords: | *Acetates *Macrocyclic Compounds Solvents crystal structure prediction dynamic separation macrocycles molecular crystals selective adsorption; |
| Notes: | "MedlineHe, Donglin Zhao, Chengxi Chen, Linjiang Little, Marc A Chong, Samantha Y Clowes, Rob McKie, Katherine Roper, Mark G Day, Graeme M Liu, Ming Cooper, Andrew I eng EP/N004884/1/Engineering and Physical Sciences Research Council/ EP/L000202, EP/R029431/Engineering and Physical Sciences Research Council/ Leverhulme Research Centre for Functional Materials Design/Leverhulme Trust/ Oversea Study Program of Guangzhou Elite Project/Guangzhou city, China/ 201806740038/China scholarships council, China/ Germany 2021/05/01 Chemistry. 2021 Jul 21; 27(41):10589-10594. doi: 10.1002/chem.202101510. Epub 2021 May 27" |
