Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
4414184 | Chemosphere | 2008 | 7 Pages |
Abstract
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).
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Authors
Shingo Yamada, Yuta Naito, Masafumi Funakawa, Satoshi Nakai, Masaaki Hosomi,