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Inherent Ethyl Acetate Selectivity in a Trianglimine Molecular Solid |
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| Authors: | Donglin He Chengxi Zhao Dr Linjiang Chen Dr Marc A Little Dr Samantha Y Chong Rob Clowes Katherine McKie Mark G Roper Graeme M Day Dr Ming Liu Prof Andrew I Cooper |
| Institution: | 1. Department of Chemistry and Materials Innovation Factory, University of Liverpool, Liverpool, L7 3NY UK
These authors contributed equally to this work.;2. 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 These authors contributed equally to this work.;3. Department of Chemistry and Materials Innovation Factory, University of Liverpool, Liverpool, L7 3NY UK Leverhulme Research Centre for Functional Materials Design, University of Liverpool, Liverpool, L7 3NY UK;4. Department of Chemistry and Materials Innovation Factory, University of Liverpool, Liverpool, L7 3NY UK;5. Hiden Isochema Ltd., Warrington, WA5 7TS UK;6. Leverhulme Research Centre for Functional Materials Design, University of Liverpool, Liverpool, L7 3NY UK |
| 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: | crystal structure prediction dynamic separation macrocycles molecular crystals selective adsorption |