Interaction of Acid Gases SO₂ and NO₂ with Coordinatively Unsaturated Metal Organic Frameworks: M-MOF-74 (M = Zn, Mg, Ni, Co)

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Interaction of Acid Gases SO₂ and NO₂ with Coordinatively Unsaturated Metal Organic Frameworks: M-MOF-74 (M = Zn, Mg, Ni, Co)

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Title: Interaction of Acid Gases SO₂ and NO₂ with Coordinatively Unsaturated Metal Organic Frameworks: M-MOF-74 (M = Zn, Mg, Ni, Co)
Author(s):
Tan, Kui;
Zuluaga, Sebastian;
Wang, Hao;
Canepa, Pieremanuele;
Soliman, Karim;
Cure, Jeremy;
Li, Jing;
Thonhauser, Timo;
Chabal, Yves J.
Date Created: 2017-05-01
Item Type: article
Keywords: Show Keywords
Description: Full text access from Treasures at UT Dallas is available only to current UTD affiliates.
Abstract: In situ infrared spectroscopy and ab initio density functional theory (DFT) calculations are combined to study the interaction of the corrosive gases SO₂ and NO₂ with metal organic frameworks M-MOF-74 (M = Zn, Mg, Ni, Co). We find that NO₂ dissociatively adsorbs into MOF-74 compounds, forming NO and NO₃̅. The mechanism is unraveled by considering the Zn-MOF-74 system, for which DFT calculations show that a strong NO₂-Zn bonding interaction induces a significant weakening of the N-O bond, facilitating the decomposition of the NO₂ molecules. In contrast, SO₂ is only molecularly adsorbed into MOF-74 with high binding energy (>90 kJ/mol for Mg-MOF-74 and >70 for Zn-MOF-74). This work gives insight into poisoning issues by minor components of flue gases in metal organic frameworks materials.
Publisher: Amer Chemical Soc
ISSN: 0897-4756
Link to Related Resource: http://dx.doi.org/10.1021/acs.chemmater.7b00005
http://dx.doi.org/10.1021/acs.chemmater.7b00005
Persistent Link: http://hdl.handle.net/10735.1/6103
Bibliographic Citation: Tan, Kui, Sebastian Zuluaga, Hao Wang, Pieremanuele Canepa, et al. 2017. "Interaction of acid gases SO₂ and NO₂ with coordinatively unsaturated metal organic frameworks: M-MOF-74 (M = Zn, Mg, Ni, Co)." Chemistry of Materials 29(10): 4227-4235.
Terms of Use: ©2017 American Chemical Society
Sponsors: Department of Energy Grant No. DE-FG02-08ER46491; Simons Foundation Grant No. 391888.

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