Premium
Graphical Abstract: Eur. J. Org. Chem. 22/2011
Publication year - 2011
Publication title -
european journal of organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 1434-193X
DOI - 10.1002/ejoc.201190059
Subject(s) - chemistry , hydrogen atom abstraction , hydrogen peroxide , hydrogen atom , anthraquinone , density functional theory , hydrogen , abstraction , photochemistry , peroxide , radical , computational chemistry , organic chemistry , philosophy , alkyl , epistemology
Abstract The cover picture shows a mechanism for the production of hydrogen peroxide in the anthraquinone process with a chemical plant as the background. Density functional theory calculations demonstrate that a hydrogen atom of anthrahydroquinone is directly abstracted by triplet dioxygen to produce a hydroperoxide radical and a 10‐hydroxy‐9‐anthroxyl radical, followed by subsequent hydrogen‐atom abstraction that leads to the formation of hydrogen peroxide and anthraquinone. Details are discussed in the article by K. Yoshizawa et al. on p. 4113 ff.