The OH-induced degradation mechanism of 4-chloro-2-methylphenoxyacetic acid (MCPA) with two forms in the water: A DFT comparison

Chemosphere

Volumn 88, Issue 1, 2012, Pages 39-48

  Ren, Xiaohua ^a   Sun, Youmin ^a,b   Wu, Zhenfeng ^a   Meng, Fanli ^b   Cui, Zhaojie ^a  

^a SHANDONG UNIVERSITY   (China)

^b SHANDONG JIANZHU UNIVERSITY   (China)

Author keywords

Addition; H atom abstraction; MCPA; OH radical; Reaction mechanism

Indexed keywords

ABSTRACTING; ATOMS; DEGRADATION; FREE RADICALS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

ADDITION; H-ATOM ABSTRACTION; MCPA; OH RADICAL; REACTION MECHANISM;

ADDITION REACTIONS;

2 (4 CHLORO 2 METHYLPHENOXY)ACETIC ACID; AROMATIC COMPOUND; CARBENE; HYDROGEN; HYDROXYL GROUP; METHYL GROUP; WATER;

COMPARATIVE STUDY; DEGRADATION; HERBICIDE; HYDROXYL RADICAL; MOLECULAR ANALYSIS; REACTION KINETICS;

ADDITION REACTION; ARTICLE; COMPARATIVE STUDY; DEGRADATION; ENERGY; HYDROXYLATION; REACTION ANALYSIS;

EID: 84862817265     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2012.02.045     Document Type: Article

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