All-nitrogen spiropentadiene—N5

Of the pentanitrogen cation (N5+) 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 mol...

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Bibliographic Details
Published in:The Journal of chemical physics 2021-11, Vol.155 (17), p.174304-174304
Main Authors: Tian, Xiao, Bo, Xiao-xu, Ding, Yi-hong
Format: Article
Language:English
Subjects:
Nitrogen
Physics
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Summary:Of the pentanitrogen cation (N5+) 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.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0070369