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Citation: Hong San-Guo, Wang Shen. The Theoretical Study of the Thermolysis of Acetylacetone[J]. Acta Physico-Chimica Sinica, ;1994, 10(05): 424-427. doi: 10.3866/PKU.WHXB19940510 shu

The Theoretical Study of the Thermolysis of Acetylacetone

Hong San-Guo ,
Wang Shen

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

Received Date: 3 November 1992
Available Online: 15 May 1994

The thermal decomposition of acetylacetone has heen studied with MINDO/3 MO theory. The results obtained show that the enol forms are more stable than the tone forms; the activation energies of the reaction (1) and (2) are 210.250 and 225.501 kJ·mol~(-1), respectively.
- Acetylacetone,
- Thermolysis,
- MINDO/3 method,
- IRC pathway
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