Acta Phys. -Chim. Sin. ›› 1994, Vol. 10 ›› Issue (05): 424-427.doi: 10.3866/PKU.WHXB19940510
• ARTICLE • Previous Articles Next Articles
Hong San-Guo, Wang Shen
Received:
Revised:
Published:
Contact:
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
Hong San-Guo, Wang Shen. The Theoretical Study of the Thermolysis of Acetylacetone[J].Acta Phys. -Chim. Sin., 1994, 10(05): 424-427.
0 /
Add to citation manager EndNote|Reference Manager|ProCite|BibTeX|RefWorks
URL: http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB19940510
http://www.whxb.pku.edu.cn/EN/Y1994/V10/I05/424
Cited