Pentachlorophenol radical cations generated on Fe(III)-montmorillonite initiate octachlorodibenzo-p-dioxin formation in clays: Density functional theory and fourier transform infrared studies

Environmental Science and Technology

Volumn 45, Issue 4, 2011, Pages 1399-1406

  Gu, Cheng ^a   Liu, Cun ^a   Johnston, Cliff T ^b   Teppen, Brian J ^a   Li, Hui ^a   Boyd, Stephen A ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLAY SURFACES; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON TRANSFER; FE-MONTMORILLONITE; FIRST-PRINCIPLES; FOURIER TRANSFORM INFRARED; FOURIER TRANSFORM INFRARED STUDIES; FTIR; IN-SITU; OCTACHLORODIBENZO P DIOXINS; QUANTUM MECHANICAL; QUANTUM-MECHANICAL CALCULATION; RADICAL CATIONS; REACTION MECHANISM; REVERSIBLE FORMATION; SINGLE ELECTRON TRANSFER; SMECTITE CLAYS; SMECTITES;

CLAY MINERALS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; FREE RADICAL REACTIONS; HERBICIDES; IRON COMPOUNDS; PHENOLS; POSITIVE IONS; QUANTUM THEORY; SILICATE MINERALS; SPHERES;

FOURIER TRANSFORMS;

CATION; DIBENZODIOXIN DERIVATIVE; IRON; MONTMORILLONITE; OCTACHLORODIBENZO PARA DIOXIN; PENTACHLOROPHENOL; UNCLASSIFIED DRUG; 2,3,7,8 TETRACHLORODIBENZO PARA DIOXIN; ALUMINUM SILICATE; BENTONITE; CLAY; FERRIC ION; OCTACHLORODIBENZO-4-DIOXIN; SILICATE; SILICON DIOXIDE;

CATION; FTIR SPECTROSCOPY; IRON; MONTMORILLONITE; PCP; RADICAL; SMECTITE;

ARTICLE; CLAY; COMPLEX FORMATION; ELECTRON TRANSPORT; FOURIER TRANSFORM MASS SPECTROMETRY; FOURIER TRANSFORMATION; QUANTUM MECHANICS; REACTION ANALYSIS; SYNTHESIS; CHEMISTRY; INFRARED SPECTROSCOPY;

ALUMINUM SILICATES; BENTONITE; CATIONS; FERRIC COMPOUNDS; PENTACHLOROPHENOL; SILICATES; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; TETRACHLORODIBENZODIOXIN;

EID: 79951640944     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es103324z     Document Type: Article

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