A quantum chemical study on the mechanism of the consecutive addition of HCN to propionitrile

• 出 处: Chinese Journal of Chemistry
• 发表日期: 1994年06期
• 关键词: steps consecutive determining intriguing starting calculating constants eigenval

MINDO/3 MO method has been used to study the mechanism of the consecutive addition of HCN to propionitrile. The results obtained for the first five steps show that the reaction is exothermic, and step 1 is the rate determining step.

MINDO / 3 MO method has been used to study the mechanism of the consecutive addition of HCN to propionitrile. The results obtained for the first five steps show that the reaction is exothermic, and step 1 is the rate determining step.