Open AccessQUANTUM-CHEMICAL STUDY OF THE MECHANISM OF REACTION OF DIFORMYLHYDRAZINE WITH p-AMINOPHENOL
Author(s) -
E. A. Chirkina
Publication year - 2021
Publication title -
sovremennye tehnologii i naučno-tehničeskij progress
Language(s) - English
Resource type - Journals
ISSN - 2686-9896
DOI - 10.36629/2686-9896-2021-1-1-86-87
Subject(s) - quantum chemical , mechanism (biology) , density functional theory , reaction mechanism , computational chemistry , quantum , chemistry , chemical reaction , quantum chemistry , quantum mechanics , physics , organic chemistry , molecule , catalysis
Based on the results of a quantum chemical study within the framework of the elec tron density functional theory by the B3LYP/6-311++G(d, p) method, a theoretical mechanism for the
reaction of diformylhydrazine with p-aminophenol is proposed