Pentachlorophenol radical cations generated on Fe(III)-montmorillonite initiate octachlorodibenzo-p-dioxin formation in clays: DFT and FTIR studies

Octachlorodibenzodioxin (OCDD) forms spontaneously from pentachlorophenol (PCP) on the surfaces of Fe(III)-saturated smectite clay (1). Here, we used in situ FTIR methods and quantum mechanical calculations to determine the mechanism by which this reaction is initiated. As the clay was dehydrated, v...

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Bibliografiske detaljer
Main Authors: Gu, Cheng, Liu, Cun, Johnston, Cliff T., Teppen, Brian J., Li, Hui, Boyd, Stephen A.
Format: Artigo
Sprog:Inglês
Udgivet: 2011
Fag:
Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3094738/
https://ncbi.nlm.nih.gov/pubmed/21254769
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/es103324z
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