Efficient hexane isomers separation in isoreticular bipyrazolate metal-organic frameworks:The role of pore functionalization

摘要

Hydrocarbons separation in petrochemical industries is a key,energy-consuming stage in the manufacture of high-quality added-value products—hence the need for more efficient materials and environmentally friendly methodologies to improve this process.In this context,we have studied the effect of metal-organic frameworks(MOFs)pore functionalization in hexane isomers separation,isolating the robust isoreticular zinc(ll)bipyrazolates Zn(BPZ),showing no pore decoration,Zn(Me_(2)BPZ),the pores of which are decorated with apolar methyl groups,and Zn(BPZ(NH_(2))_(2)),the spacers of which possess polar Lewis-basic functions(H_(2)BPZ=1H,1''H-4,4''-bipyrazole;H_(2)Me_(2)BPZ=3,3''-dimethyl-1H,1''H-4,4''-bipyrazole;H_(2)BPZ(NH_(2))_(2)=3,5-diamino-1H,1''H-4,4''-bipyrazole;DMF=dimethylformamide).After characterizing Zn(BPZ(NH_(2))_(2))as per its crystal structure and thermal behaviour,and all the three MOFs as per their textural properties,we investigated,from the experimental and computational points of view,the impact of the square one-dimensional channels decoration on the separation of the hexane isomers,demonstrating the relevance of pore constrictions in the resolution of the title alkanes mixture.