Issue 2, 2021

Identification of the preferential CO and SO2 adsorption sites within NOTT-401

Abstract

NOTT-401 was found to be a highly stable adsorbent for SO2 and CO with excellent cyclability and a straightforward regeneration at room temperature. Moreover, the preferential CO binding sites within the MOF material have been identified by experimental in situ DRIFT spectroscopy coupled with DFT and QTAIM calculations. Such preferential CO adsorption sites were correlated to identify the most significant SO2 interactions within NOTT-401. This study sheds light on the role of the thiophene and hydroxo functionality, for a MOF material, in the binding of SO2 or CO.

Graphical abstract: Identification of the preferential CO and SO2 adsorption sites within NOTT-401

Supplementary files

Article information

Article type
Paper
Submitted
04 Sep 2020
Accepted
11 Dec 2020
First published
12 Dec 2020

Phys. Chem. Chem. Phys., 2021,23, 1454-1463

Identification of the preferential CO and SO2 adsorption sites within NOTT-401

M. Rivera-Almazo, M. L. Díaz-Ramírez, R. Hernández-Esparza, R. Vargas, A. Martínez, V. Martis, P. A. Sáenz-Cavazos, D. Williams, E. Lima, I. A. Ibarra and J. Garza, Phys. Chem. Chem. Phys., 2021, 23, 1454 DOI: 10.1039/D0CP04668J

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