Nonstatistical Unimolecular Decay of the Singly Fluorinated Criegee Intermediate <i>syn-</i> FCHOO
is an order of magnitude slower than that predicted by statistical unimolecular reaction theory with quantum mechanical tunneling. The nonstatistical behavior originates from excitation of a CH stretch vibration that is orthogonal to the heavy atom motions along the reaction coordinate and slow intramolecular vibrational energy redistribution due to the sparse density of states.
Authors
- Marsha I. Lester (ORCID: https://orcid.org/0000-0003-2367-3497)
- Yujie Qian (ORCID: https://orcid.org/0000-0001-7799-3096)
- Thanh Lam Nguyen (ORCID: https://orcid.org/0000-0002-7794-9439)
- Elizabeth Karlsson (ORCID: https://orcid.org/0000-0002-6876-5291)
- Lilyana R Walsh
Institutions
- University of Florida (US)
- California University of Pennsylvania (US)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2026-05-01
- DOI
- https://doi.org/10.1021/acs.jpca.6c01093
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- University of Pennsylvania
- Office of Advanced Cyberinfrastructure
- Division of Chemistry