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Title: 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.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [1];  [1]; ORCiD logo [1]
  1. OHSU-PSU School of Public Health, Oregon Health & Science University, Portland, USA
  2. William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, USA
  3. Jacobs, Portland, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1595844
Grant/Contract Number:  
AC06-76RLO 1830
Resource Type:
Published Article
Journal Name:
Environmental Science: Processes & Impacts
Additional Journal Information:
Journal Name: Environmental Science: Processes & Impacts; Journal ID: ISSN 2050-7887
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Torralba-Sanchez, Tifany L., Bylaska, Eric J., Salter-Blanc, Alexandra J., Meisenheimer, Douglas E., Lyon, Molly A., and Tratnyek, Paul G. Reduction of 1,2,3-trichloropropane (TCP): pathways and mechanisms from computational chemistry calculations. United Kingdom: N. p., 2020. Web. doi:10.1039/C9EM00557A.
Torralba-Sanchez, Tifany L., Bylaska, Eric J., Salter-Blanc, Alexandra J., Meisenheimer, Douglas E., Lyon, Molly A., & Tratnyek, Paul G. Reduction of 1,2,3-trichloropropane (TCP): pathways and mechanisms from computational chemistry calculations. United Kingdom. doi:10.1039/C9EM00557A.
Torralba-Sanchez, Tifany L., Bylaska, Eric J., Salter-Blanc, Alexandra J., Meisenheimer, Douglas E., Lyon, Molly A., and Tratnyek, Paul G. Wed . "Reduction of 1,2,3-trichloropropane (TCP): pathways and mechanisms from computational chemistry calculations". United Kingdom. doi:10.1039/C9EM00557A.
@article{osti_1595844,
title = {Reduction of 1,2,3-trichloropropane (TCP): pathways and mechanisms from computational chemistry calculations},
author = {Torralba-Sanchez, Tifany L. and Bylaska, Eric J. and Salter-Blanc, Alexandra J. and Meisenheimer, Douglas E. and Lyon, Molly A. and Tratnyek, Paul G.},
abstractNote = {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.},
doi = {10.1039/C9EM00557A},
journal = {Environmental Science: Processes & Impacts},
number = ,
volume = ,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9EM00557A

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