Of the pentanitrogen cation (N ) family, the only experimentally known isomer is the V-shaped structure 01. Here, we showed that a super-high-energy (∼100 kcal/mol above 01) all-nitrogen spiropentadiene 02 with considerable σ-delocalization deserves pursuit as the first spirocyclic all-nitrogen molecule, at least spectroscopical.
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http://dx.doi.org/10.1063/5.0070369 | DOI Listing |
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