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The members of a homologous series of chiral compounds often show inconsistent enantioselectivities when separated on the same chiral stationary phase. The reasons behind this are subject to debate due to the lack of an efficient way to probe the molecular level separation mechanisms on conventional chiral stationary phases. Homochiral metal-organic… (More)
Molecular simulations were performed to predict the adsorption of racemic mixtures of (R,S)-1,3-dimethylallene (DMA) in three homochiral metal-organic frameworks (HMOFs). All three HMOFs include the same chiral linker, (R)-6,6'-dichloro-2,2'-dihydroxy-1,1'-binaphthyl-4,4'-bipyridine (L), but have different topologies. While a single linker L shows very… (More)