Acta Phys. -Chim. Sin. ›› 1995, Vol. 11 ›› Issue (04): 297-301.doi: 10.3866/PKU.WHXB19950403

• ARTICLE • Previous Articles     Next Articles

Quantum Chemical Study of the Thermolysis of Chroman

Hong San-Guo   

  1. Deprtment of Chemistry,Jiangxi Normal University,Nanchang 330027
  • Received:1994-02-03 Revised:1994-04-13 Published:1995-04-15
  • Contact: Hong San-Guo


The AM1 method has been used to study the thermolysis of chroman. The results obtained by the UHF calculations show that this thermolysis proceeds to products through two routes involving two steps, and the activation energies of the rate-determining steps of the route (Ⅰ) as well as route (Ⅱ) are 165.402 and 198.355 kJ•mol-1, respectively.

Key words: Chroman, Thermolysis, Transition state