Zaworotko_2020_Structural.pdf (2.51 MB)
Structural elucidation of the mechanism of molecular recognition in chiral crystalline sponges
journal contribution
posted on 2020-08-19, 07:33 authored by Shi-Yuan Zhang, David Fairen-Jimenez, Michael J. ZaworotkoTo 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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