Theoretical study on the mechanism and kinetics of the reaction of 2,2',4,4'-tetrabrominated diphenyl ether (BDE-47) with OH radicals

Atmospheric Environment

Volumn 45, Issue 8, 2011, Pages 1525-1531

  Cao, Haijie ^a   He, Maoxia ^a   Han, Dandan ^a   Sun, Yanhui ^a   Xie, Ju ^b  

^a SHANDONG UNIVERSITY   (China)

^b YANGZHOU UNIVERSITY   (China)

Author keywords

BDE 47; OH radicals; Rate constants; Reaction mechanism; Theoretical study

Indexed keywords

BDE-47; C ATOMS; CANONICAL VARIATIONAL TRANSITIONS; DIPHENYL ETHER; GAS-PHASE REACTIONS; HYDROGEN ABSTRACTION; HYDROGEN ABSTRACTION REACTION; HYDROXYL RADICALS; LOWER ENERGY BARRIERS; MECHANISM AND KINETICS; OH RADICAL; OH RADICALS; POLYBROMINATED DIPHENYL ETHERS; PRODUCT BRANCHING RATIOS; REACTION MECHANISM; SMALL-CURVATURE TUNNELING; THEORETICAL STUDY;

ABSTRACTING; ATOMS; ETHERS; FREE RADICALS; HYDROGEN; ORGANIC COMPOUNDS; PHASE INTERFACES; PHOTOCHEMICAL REACTIONS; POLYACRYLATES; RATE CONSTANTS; REACTION KINETICS;

ADDITION REACTIONS;

DIPHENYL ETHER; HYDROGEN; HYDROXYL RADICAL; POLYBROMINATED DIPHENYL ETHER;

ATMOSPHERIC CHEMISTRY; GAS PHASE REACTION; HYDROXYL RADICAL; PBDE; PHOTOCHEMISTRY; REACTION KINETICS; THEORETICAL STUDY;

ARTICLE; BROMINATION; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; PHOTOCHEMISTRY; PRIORITY JOURNAL; THEORETICAL STUDY;

EID: 79851513115     PISSN: 13522310     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.atmosenv.2010.12.045     Document Type: Article

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