Research Article


2021, 14(2): 532–540


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

Rebecca Vismara1,†, Corrado Di Nicola2, Rodrigo Gil-San Millán3, Kostiantyn V. Domasevich4, Claudio Pettinari5,6, Jorge A. R. Navarro3 (*), and Simona Galli1,7 (*)

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1 Dipartimento di Scienza e Alta Tecnologia, Università dell’Insubria, 22100 Como, Italy 

2 School of Science and Technology, University of Camerino, 62032 Camerino (MC), Italy 

3 Departamento de Química Inorgánica, Universidad de Granada, 18071 Granada, Spain 

4 Taras Shevchenko National University of Kyiv, 01601 Kyiv, Ukraine 

5 School of Pharmacy, University of Camerino, 62032 Camerino (MC), Italy 

6 Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), 50019 Sesto Fiorentino, Italy 

7 Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali, 50121 Firenze, Italy 

† Present address: Department of Chemistry, University of Liverpool, Liverpool L7 3NY, UK

Keywords: adsorption, molecular sieving, nitrogen-donor ligands, gas separation, powder diffraction, variable-temperature pulse gas chromatography
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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(II) bipyrazolates Zn(BPZ), showing no pore decoration, Zn(Me2BPZ), the pores of which are decorated with apolar methyl groups, and Zn(BPZ(NH2)2), the spacers of which possess polar Lewis-basic functions (H2BPZ = 1H,1’H-4,4’-bipyrazole; H2Me2BPZ = 3,3’-dimethyl-1H,1’H-4,4’-bipyrazole; H2BPZ(NH2)2 = 3,5-diamino- 1H,1’H-4,4’-bipyrazole; DMF = dimethylformamide). After characterizing Zn(BPZ(NH2)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.
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Efficient hexane isomers separation in isoreticular bipyrazolate metal-organic frameworks: The role of pore functionalization. Nano Res. 2021, 14(2): 532–540

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