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Structural elucidation of the mechanism of molecular recognition in chiral crystalline sponges

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journal contribution
posted on 2020-08-19, 07:33 authored by Shi-Yuan Zhang, David Fairen-Jimenez, Michael J. Zaworotko
To gain insight into chiral recognition in porous materials we have prepared a family of fourth generation chiral metal–organic frameworks (MOFs) that have rigid frameworks and adaptable (flexible) pores. The previously reported parent material, [Co2(S-mandelate) 2(4,4’-bipyridine)3](NO3)2, CMOM-1S, is a modular MOF; five new variants in which counterions (BF4 , CMOM-2S) or mandelate ligands are substituted (2-Cl, CMOM-11R; 3-Cl, CMOM-21R; 4-Cl, CMOM-31R; 4-CH3, CMOM-41R) and the existing CF3SO3 variantCMOM-3Sarestudiedherein. Fine-tuning of pore size, shape, and chemistry afforded a series of distinct host–guest binding sites with variable chiral separation properties with respect to three structural isomers of phenylpropanol. Structural analysis of the resulting crystalline sponge phases revealed that host–guest interactions, guest–guest interactions, and pore adaptability collectively determine chiral discrimination.

Funding

Investigation of the triple mutual system Li, Ba // BO2, F and the growth of bulk crystals of b-BaB2O4

Russian Foundation for Basic Research

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History

Publication

Angewandte International Edition Chemie;59, pp. 2-9

Publisher

Wiley

Note

peer-reviewed

Other Funding information

SFI

Language

English

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