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Research Article

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( ), Simona Galli1,7( )
Dipartimento di Scienza e Alta Tecnologia, Università dell’Insubria, 22100 Como, Italy
School of Science and Technology, University of Camerino, 62032 Camerino (MC), Italy
Departamento de Química Inorgánica, Universidad de Granada, 18071 Granada, Spain
Taras Shevchenko National University of Kyiv, 01601 Kyiv, Ukraine
School of Pharmacy, University of Camerino, 62032 Camerino (MC), Italy
Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), 50019 Sesto Fiorentino, Italy
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

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Abstract

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.

Keywords

adsorptionmolecular sievingnitrogen-donor ligandsgas separationpowder diffractionvariable-temperature pulse gas chromatography

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Nano Research
Volume 14 Issue 2,
February 2021
Pages 532-540
DOI: 10.1007/s12274-020-2812-y
Cite this article:
Vismara R, Di Nicola C, Millán RG-S, et al. Efficient hexane isomers separation in isoreticular bipyrazolate metal-organic frameworks: The role of pore functionalization. Nano Research, 2021, 14(2): 532-540. https://doi.org/10.1007/s12274-020-2812-y
Topics:
Crystal structureMetalsOrganic frameworks Organic solventsOrganometallicsPetrochemicalsZinc compounds

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Received: 11 February 2020
Revised: 31 March 2020
Accepted: 14 April 2020
Published: 11 May 2020
© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature
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