All-nitrogen spiropentadiene-N.

J Chem Phys

Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, People's Republic of China.

Published: November 2021

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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Source
http://dx.doi.org/10.1063/5.0070369DOI Listing

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