Theoretical study on the formation mechanism of pre-intermediates for PXDD/Fs from 2-Bromophenol and 2-Chlorophenol precursors via radical/molecule reactions.

Pan, Wenxiao; Fu, Jianjie; Zhang, Aiqian

Pan, Wenxiao; Fu, Jianjie; Zhang, Aiqian.

Afiliación

Pan W; State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, PR China.
Fu J; State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, PR China; College of Resources and Environment, University of Chinese Academy of Sciences, Beijing 100190, PR China.
Zhang A; State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, PR China; College of Resources and Environment, University of Chinese Academy of Sciences, Beijing 100190, PR China. Electronic address: aqzhang@rcees.ac.cn.

Environ Pollut ; 225: 439-449, 2017 Jun.

Article en En | MEDLINE | ID: mdl-28302335

Asunto(s)

Clorofenoles/química; Dibenzofuranos/química; Dioxinas/química; Modelos Químicos; Fenoles/química; Benzofuranos/química; Halogenación; Cinética; Modelos Teóricos; Dibenzodioxinas Policloradas; Termodinámica

Palabras clave

DFT study; Formation mechanism; PXDD/Fs; Radical/molecule reactions

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Fenoles / Clorofenoles / Dioxinas / Dibenzofuranos / Modelos Químicos Tipo de estudio: Prognostic_studies Idioma: En Revista: Environ Pollut Asunto de la revista: SAUDE AMBIENTAL Año: 2017 Tipo del documento: Article Pais de publicación: Reino Unido

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