Reduction of 1,2,3-trichloropropane (TCP): pathways and mechanisms from computational chemistry calculations
Abstract
Lesser halogenated halocarbons such as 1,2,3-trichloropropane (TCP) are persistent under most conditions, but reductive beta-elimination favors complete dechlorination by hydrogenolysis of the allyl chloride intermediate.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2020
- Source ID
- 10.1039/c9em00557a
Entities
People
- Alexandra J Salter-Blanc
- Douglas Meisenheimer
- Eric J Bylaska
- Molly A. Lyon
- Paul G Tratnyek
- Tifany L Torralba-Sanchez
Organizations
- Jacobs Engineering Group
- Oregon Health & Science University
- Pacific Northwest National Laboratory
- Strategic Environmental Research and Development Program
- United States Army
- United States Department of Energy