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

Luz J. Barrios-Vargas, José G. Ruiz-Montoya, Bruno Landeros-Rivera, J. Raziel Álvarez, Daniel Alvarado-Alvarado, Rubicelia Vargas, Ana Martínez, Eduardo González-Zamora, Ludy M. Cáceres, Juan C. Morales, Ilich A. Ibarra

Research output: Contribution to journalArticle (Contribution to Journal)

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.

Original languageEnglish
Pages (from-to)2786-2793
Number of pages8
JournalDalton Transactions
Volume49
Issue number9
DOIs
StatePublished - 7 Mar 2020

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    Barrios-Vargas, L. J., Ruiz-Montoya, J. G., Landeros-Rivera, B., Álvarez, J. R., Alvarado-Alvarado, D., Vargas, R., Martínez, A., González-Zamora, E., Cáceres, L. M., Morales, J. C., & Ibarra, I. A. (2020). Confined benzene within InOF-1: Contrasting CO2 and SO2 capture behaviours. Dalton Transactions, 49(9), 2786-2793. https://doi.org/10.1039/c9dt04667d