Reduction of 1,2,3-trichloropropane (TCP): pathways and mechanisms from computational chemistry calculations
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.
Topics & Concepts
Reduction (mathematics)ChemistryComputational chemistryBiochemistryMathematicsGeometryAnalytical Chemistry and ChromatographyMass Spectrometry Techniques and ApplicationsPorphyrin and Phthalocyanine Chemistry