Reduction of 1,2,3-trichloropropane (TCP): pathways and mechanisms from computational chemistry calculations

Journal Article
Environmental Science: Processes & Impacts, vol. 22, iss. 3, pp. 606-616, 2020
Authors
Tifany L. Torralba-Sanchez, Eric J. Bylaska, Alexandra J. Salter-Blanc, Douglas E. Meisenheimer, Molly A. Lyon, Paul G. Tratnyek
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.

English