Catalysis and tunnelling in the unimolecular decay of Criegee intermediates
The unimolecular decay of Criegee intermediates is the major producer of OH radicals in the atmosphere. Here, Semi-Classical Transition State Theory (SCTST) in full and reduced dimensions is used to determine thermal rate constants for their unimolecular decay, as well as their decay catalysed by a...
| Main Authors: | , , |
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| 格式: | Journal article |
| 语言: | English |
| 出版: |
Royal Society of Chemistry
2018
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| _version_ | 1826292928758153216 |
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| author | Burd, T Shan, X Clary, D |
| author_facet | Burd, T Shan, X Clary, D |
| author_sort | Burd, T |
| collection | OXFORD |
| description | The unimolecular decay of Criegee intermediates is the major producer of OH radicals in the atmosphere. Here, Semi-Classical Transition State Theory (SCTST) in full and reduced dimensions is used to determine thermal rate constants for their unimolecular decay, as well as their decay catalysed by a single water molecule. These reactions shed light on the applicability of SCTST for catalysed hydrogen transfer reactions. |
| first_indexed | 2024-03-07T03:22:15Z |
| format | Journal article |
| id | oxford-uuid:b7d2d2ba-65f4-48a4-a66a-c6d801e895e1 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T03:22:15Z |
| publishDate | 2018 |
| publisher | Royal Society of Chemistry |
| record_format | dspace |
| spelling | oxford-uuid:b7d2d2ba-65f4-48a4-a66a-c6d801e895e12022-03-27T04:51:25ZCatalysis and tunnelling in the unimolecular decay of Criegee intermediatesJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:b7d2d2ba-65f4-48a4-a66a-c6d801e895e1EnglishSymplectic Elements at OxfordRoyal Society of Chemistry2018Burd, TShan, XClary, DThe unimolecular decay of Criegee intermediates is the major producer of OH radicals in the atmosphere. Here, Semi-Classical Transition State Theory (SCTST) in full and reduced dimensions is used to determine thermal rate constants for their unimolecular decay, as well as their decay catalysed by a single water molecule. These reactions shed light on the applicability of SCTST for catalysed hydrogen transfer reactions. |
| spellingShingle | Burd, T Shan, X Clary, D Catalysis and tunnelling in the unimolecular decay of Criegee intermediates |
| title | Catalysis and tunnelling in the unimolecular decay of Criegee intermediates |
| title_full | Catalysis and tunnelling in the unimolecular decay of Criegee intermediates |
| title_fullStr | Catalysis and tunnelling in the unimolecular decay of Criegee intermediates |
| title_full_unstemmed | Catalysis and tunnelling in the unimolecular decay of Criegee intermediates |
| title_short | Catalysis and tunnelling in the unimolecular decay of Criegee intermediates |
| title_sort | catalysis and tunnelling in the unimolecular decay of criegee intermediates |
| work_keys_str_mv | AT burdt catalysisandtunnellingintheunimoleculardecayofcriegeeintermediates AT shanx catalysisandtunnellingintheunimoleculardecayofcriegeeintermediates AT claryd catalysisandtunnellingintheunimoleculardecayofcriegeeintermediates |