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SONG Wei-Ping HE Shao-Ren FU Xiao-YuanDepartment of Chemistry Beijing Normal University Beijing China 《中国化学》1997,15(4):313-317
The α-hydroxy-acid gas-phase elimination process has been studied theoretically by HF/3-21G.The calculated results can be summed up as follows:(1) The elimination process is a stepwise reaction.In the first step,a 3-membered ring intermediate is formed via a 5-membered ring transition state;while the product is formed in the second step via a 3-membered ring transition state.(2) The obtained results of the substituent effect show that the increase of electronic donation of the alkyl groups is favorable for the reaction.Other substituents which show the electron-withdrawing inductive effect (e.g.-Cl,-CN,-CF3) are unfavorable for this process. 相似文献