抄録
The charge distributions on the rings of phenol, methyl phenols and hydroxymethyl phenols under acidic or alkaline reaction condition are calculated by using ab initio method at HF/6-31G* level. The effects of the introduced methyl and hydroxymethyl on the net charge of ortho-and para- positions of the phenol rings are studied and the relationship of these effects with the reactivity of the compounds in the synthesis of phenolic resins is discussed.
