864667-73-2Relevant academic research and scientific papers
o-Phenylene halocarbenonitrenes and o-phenylene chlorocarbenocarbene: A combined experimental and computational approach
Enyo, Tomonori,Arai, Nobuaki,Nakane, Norio,Nicolaides, Athanassios,Tomioka, Hideo
, p. 7744 - 7754 (2007/10/03)
Computations find that o-phenylene(halo)carbenonitrenes 2-XN, X = F, Cl, Br, have quinoidal singlet biradical ground states such as the parent o-phenylenecarbenonitrene (2-HN). Compared to the parent 2-HN, halogen substitution stabilizes the A″ states rel
