All-nitrogen spiropentadiene-N-5(+)

摘要

Of the pentanitrogen cation (N-5(+)) family, the only experimentally known isomer is the V-shaped structure 01. Here, we showed that a super-high-energy (& SIM;100 kcal/mol above 01) all-nitrogen spiropentadiene 02 with considerable sigma-delocalization deserves pursuit as the first spirocyclic all-nitrogen molecule, at least spectroscopical.