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Confined benzene within InOF-1: contrasting CO2 and SO2 capture behaviours

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Abstract

The confinement of small amounts of benzene in InOF-1 (Bz@InOF-1) shows a contradictory behavior in the capture of CO2 and SO2. While the capture of CO2 is increased 1.6 times, compared to the pristine material, the capture of SO2 shows a considerable decrease. To elucidate these behaviors, the interactions of CO2 and SO2 with Bz@InOF-1 were studied by DFT periodical calculations postulating a plausible explanation: (a) in the case of benzene and CO2, these molecules do not compete for the preferential adsorption sites within InOF-1, providing a cooperative CO2 capture enhancement and (b) benzene and SO2 strongly compete for these preferential adsorption sites inside the MOF material, reducing the total SO2 capture.

Graphical abstract: Confined benzene within InOF-1: contrasting CO2 and SO2 capture behaviours

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Article information


Submitted
07 Dec 2019
Accepted
03 Feb 2020
First published
04 Feb 2020

Dalton Trans., 2020, Advance Article
Article type
Paper

Confined benzene within InOF-1: contrasting CO2 and SO2 capture behaviours

L. J. Barrios-Vargas, J. G. Ruiz-Montoya, B. Landeros-Rivera, J. R. Álvarez, D. Alvarado-Alvarado, R. Vargas, A. Martínez, E. González-Zamora, L. M. Cáceres, J. C. Morales and I. A. Ibarra, Dalton Trans., 2020, Advance Article , DOI: 10.1039/C9DT04667D

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