An exploration of the mechanisms for the formation of 3,4-bis(4-aminofurazan-3-yl)-furoxan by density functional theory

Article ID	Journal	Published Year	Pages	File Type
5394563	Computational and Theoretical Chemistry	2012	6 Pages	PDF

Abstract

âº A catalyzed water molecule accelerates the hydrogen transfer and dehydrochlorination. âº Chloroxime furazan formed from amidoxime furazan via electrophilic substitution. âº The dimerization is stepwise involving intermediates and transition states that have strong diradical character.

Keywords

Cycloaddition Furoxan Dehydrochlorination Diazotization Mechanism Density functional theory

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

Preview

An exploration of the mechanisms for the formation of 3,4-bis(4-aminofurazan-3-yl)-furoxan by density functional theory

Authors

Kun Yang, Xiao-Fang Chen, Wei-Peng Lai, Bo-Zhou Wang,