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Citation: Hong San-Guo, Peng Yi-Yuan, Zhu Shi-Lai, Wang Shen. Theoretical Study on the Thermolyses of ο-acetylcyclopentanone and ο-acetylcyclohexanone[J]. Acta Physico-Chimica Sinica, ;1999, 15(02): 186-189. doi: 10.3866/PKU.WHXB19990218 shu

Theoretical Study on the Thermolyses of ο-acetylcyclopentanone and ο-acetylcyclohexanone

1.
Department of Chemistry,Jiangxi Normal University,Nanchang 330027

Received Date: 11 March 1998
Available Online: 15 February 1999

PM3 SCF calculations have been carried out to study the thermolyses of o-acetylcycolpentanone and o-acetylcyclohexanone. The results obtained show that these two com-pounds are thermally decomposed into products through an unimolecular elimination involving six-center cyclic transition state, and these two thermolyses are caused by the migration of positive charged β-H.
- ο-acetylcyclopentanone,
- ο-acetylcyclohexanone,
- Thermolysis,
- Traisition state,
- PM3 method
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