Thermodynamics and photochemical properties of α, β, and γ-hexabromocyclododecanes: A theoretical study

Chemosphere

Volumn 80, Issue 2, 2010, Pages 150-156

  Zhao, Ya Ying ^a   Zhang, Xi Hui ^a   Sojinu, O S Samuel ^b  

^a TSINGHUA UNIVERSITY   (China)

^b REDEEMER S UNIVERSITY   (Nigeria)

Author keywords

Density functional theory; Hexabromocyclododecanes; Thermodynamics and photochemical properties; Time dependent DFT

Indexed keywords

MOLECULAR ORBITALS; THERMODYNAMIC PROPERTIES; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHIC DATA; FRONTIER MOLECULAR ORBITALS; HEXABROMOCYCLODODECANES; OPTIMIZED GEOMETRIES; PHOTOCHEMICAL PROPERTIES; TD-DFT CALCULATIONS; TIME-DEPENDENT DFT; UV ABSORPTION SPECTRUM;

DENSITY FUNCTIONAL THEORY;

ALPHA HEXABROMOCYCLODODECANE; BETA HEXABROMOCYCLODODECANE; GAMMA HEXABROMOCYCLODODECANE; HEXABROMOCYCLODODECANE; UNCLASSIFIED DRUG;

PHOTOCHEMISTRY; PHOTODEGRADATION; THEORETICAL STUDY; THERMODYNAMICS;

ARTICLE; CHEMICAL ANALYSIS; DEBROMINATION; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; EXCITATION; HYDROPHOBICITY; ILLUMINATION; ISOMERIZATION; PHOTOCHEMISTRY; PHOTODEGRADATION; PROCESS OPTIMIZATION; RACEMIZATION; THERMODYNAMICS;

EID: 77952885188     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2010.04.002     Document Type: Article

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