Mechanistic and kinetic study on the reaction of 2;4-dibrominated diphenyl ether (BDE-7) with OH radicals

Article ID	Journal	Published Year	Pages	File Type
5394834	Computational and Theoretical Chemistry	2012	7 Pages	PDF

Abstract

âº Quantum chemical study on the structures and detailed reactions of BDE-7 with OH. âº Hydroxyl addition reactions are the major pathways. âº Phenyl ring without bromines is more active than the other one. âº Reaction rate constants of each elementary reaction have been obtained. âº The rate constants of BDE-7 is larger than BDE-47 while lower than BDE-15.

Keywords

OH radicals Theoretical study Reaction mechanism Rate constants

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Mechanistic and kinetic study on the reaction of 2;4-dibrominated diphenyl ether (BDE-7) with OH radicals

Authors

Haijie Cao, Maoxia He, Dandan Han, Yanhui Sun, Sufang Zhao, Hongjuan Ma, Side Yao,