Photodechlorination of octachlorodibenzothiophene and octachlorodibenzofuran: Comparison of experimental degradation pathways with degradation pathways predicted by DFT

Chemosphere

Volumn 73, Issue 6, 2008, Pages 1005-1010

  Yamada, Shingo ^a   Kishita, Saeko ^a   Nakai, Satoshi ^b   Takada, Makoto ^a   Hosomi, Masaaki ^a  

^a TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY   (Japan)

^b HIROSHIMA UNIVERSITY   (Japan)

Author keywords

Density functional theoretical method; Gaussian; Polychlorodibenzofurans; Polychlorodibenzothiophenes; Prediction of degradation pathways

Indexed keywords

DECHLORINATION; DENSITY FUNCTIONAL THEORY; DISCRETE FOURIER TRANSFORMS; DISSOCIATION; EXPERIMENTS; FORECASTING; HEXANE; HYDROGEN; PHOTODEGRADATION; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS; REACTION KINETICS; SULFUR; SULFUR COMPOUNDS;

DENSITY FUNCTIONAL THEORETICAL METHOD; GAUSSIAN; POLYCHLORODIBENZOFURANS; POLYCHLORODIBENZOTHIOPHENES; PREDICTION OF DEGRADATION PATHWAYS;

DEGRADATION;

1,2,3,4,5,6,7,8 OCTACHLORODIBENZOFURAN; DIBENZOFURAN DERIVATIVE; DIBENZOTHIOPHENE DERIVATIVE; OCTACHLORODIBENZOTHIOPHENE; UNCLASSIFIED DRUG;

ATMOSPHERIC POLLUTION; COMPARATIVE STUDY; DECHLORINATION; GAUSSIAN METHOD; RADICAL; SULFUR COMPOUND; ULTRAVIOLET RADIATION;

ARTICLE; CHEMICAL BOND; DECHLORINATION; DEGRADATION KINETICS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY; NORMAL DISTRIBUTION; PHOTODECHLORINATION; ULTRAVIOLET IRRADIATION;

BENZOFURANS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHOTOLYSIS; THIOPHENES;

EID: 51449098171     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2008.05.057     Document Type: Article

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