Computational exploration of NO single-site disproportionation on Fe-MOF-5
Nitric oxide disproportionation at the site-isolated Fe centers of the metal organic framework material known as Fe-MOF-5 has been explored with density functional theory (DFT). The computed reaction sequence supports the mechanism suggested by experiment that involves the formation of the monoanion...
Main Authors: | , , , |
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Other Authors: | |
Format: | Article |
Language: | English |
Published: |
American Chemical Society (ACS)
2020
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Online Access: | https://hdl.handle.net/1721.1/126238 |