Acta Phys. -Chim. Sin. ›› 1994, Vol. 10 ›› Issue (05): 424-427.doi: 10.3866/PKU.WHXB19940510

• ARTICLE • Previous Articles     Next Articles

The Theoretical Study of the Thermolysis of Acetylacetone

Hong San-Guo, Wang Shen   

  1. Department of Chemistry, Jiangxi Normal University, Nanchang 330027
  • Received:1992-11-03 Revised:1993-01-20 Published:1994-05-15
  • Contact: Hong San-Guo

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Abstract:

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.

Key words: Acetylacetone, Thermolysis, MINDO/3 method, IRC pathway