Photodegradation fates of cis-chlordane, trans-chlordane, and heptachlor in ethanol.
cis-Chlordane, trans-chlordane, and heptachlor were photodegraded in ethanol, and their degradation fates and degradation products were determined by a computational chemical method. The most degradable material was heptachlor (first-order reaction constant k=0.13 min(-1)). Chlorine balances changed during UV irradiation, and the chlorine atoms in chlordane and heptachlor were eventually mineralized. cis-Chlordane, trans-chlordane and heptachlor each generated two di-dechlorinated products. Reactivities at various positions in these compounds were predicted on the basis of bond dissociation energies calculated by nonempirical molecular orbital calculation (Gaussian 98W).
Yamada
Shingo
S
Department of Chemical Engineering, Tokyo University of Agriculture and Technology, 2-24-16 Koganei, Tokyo 184-8588, Japan. yamada-s@cc.tuat.ac.jp
Naito
Yuta
Y
Funakawa
Masafumi
M
Nakai
Satoshi
S
Hosomi
Masaaki
M
D002706:Chlordan / Q000737:chemistry*; D000431:Ethanol / Q000737:chemistry*; D008401:Gas Chromatography-Mass Spectrometry; D006533:Heptachlor / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D010782:Photolysis / Q000528:radiation effects; D013237:Stereoisomerism; D014466:Ultraviolet Rays