摘要
Based on theab initio calculation results, the hydrogen atom transfer has been investigated. In order to explain the experimental results, a new mechanism is proposed, that is, hydrogen transfer occurs before but not after CI atom eliminates from aromatic ring. The calculation result strongly supports this mechanism.
Based on the ab initio calculation results, the hydrogen atom transfer has been investigated. In order to explain the experimental results, a new mechanism is proposed, that is, hydrogen transfer occurs before but not after Cl atom eliminates from aromatic ring. The calculation result strongly supports this mechanism.
