- Title
- Pyrolysis of dieldrin and formation of toxic products: II: reaction mechanism
- Creator
- Mackie, J. C.; Dharmarathne, W. N. K.; Kennedy, E. M.; Stockenhuber, M.
- Relation
- 11th Asia-Pacific Conference on Combustion (ASPACC 2017). Proceedings of the 11th Asia-Pacific Conference on Combustion (Sydney 10-14 December, 2017)
- Relation
- Funding BodyARCGrant NumberDP160102818 http://purl.org/au-research/grants/arc/DP160102818
- Publisher
- UNSW
- Resource Type
- conference paper
- Date
- 2017
- Description
- The mechanism of pyrolysis of dieldrin, a now-banned member of the cyclodiene group of pesticides, has been studied by quantum chemical calculation. The pyrolysis is initiated by retro Diels-Alder dissociation into hexachlorocyclopentadiene and norbornadiene oxide. At low temperatures (623-800 K) intramolecular processes lead to benzene, CO and H₂ as major products. Above ~800 K hexachlorocyclopentadiene undergoes rapid Cl bond fission and Cl atoms abstract H atoms from dieldrin forming HCl and lead to four different types of dieldrin radicals, one of which undergoes a complex series of intramolecular rearrangements and fissions, producing pentachlorostyrene, ketene, acetylene and Cl atom as products. These products accord with results of previous experimental pyrolysis experiments conducted on dieldrin.
- Subject
- pyrolysis; dieldrin; toxic species; pesticides
- Identifier
- http://hdl.handle.net/1959.13/1393064
- Identifier
- uon:33495
- Language
- eng
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