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A Density Functional Theory Study Clarifying the Reactions of Conjugated Ketenes with Formaldimine. A Plethora of Pericyclic and Pseudopericyclic Pathways

✍ Scribed by Zhou, Chun; Birney, David M.


Book ID
126144889
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
226 KB
Volume
124
Category
Article
ISSN
0002-7863

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## Abstract A comprehensive B3LYP/6‐31+G\* study on the electrocyclization of 1,2,4,6‐heptatetraene analogues was conducted. Starting from the cyclization of (2__Z__)‐2,4,5‐hexatrienal, a pericyclic disrotatory process favored by the assistance of a electron lone pair, we incorporated small modific