How stable can the pentanitrogen cation be in kinetics?

For the 22 year-old pentanitrogen cation N 5 + ( 01 ), we surprisingly found that the previously reported transition states (TSs) do not correspond to N 2 -extrusion. We located the real N 2 -extrusion TS, which can well reconcile the hitherto remaining inconsistency between the gas-phase and salt-l...

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2021-05, Vol.57 (36), p.4432-4435
Hauptverfasser: Tian, Xiao, Bo, Xiao-xu, Ding, Yi-hong
Format: Artikel
Sprache:eng
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Zusammenfassung:For the 22 year-old pentanitrogen cation N 5 + ( 01 ), we surprisingly found that the previously reported transition states (TSs) do not correspond to N 2 -extrusion. We located the real N 2 -extrusion TS, which can well reconcile the hitherto remaining inconsistency between the gas-phase and salt-like forms of 01 both in structure and energetics. We for the first time located the real N 2 -extrusion transition state of the pentanitrogen cation N 5 + , which can reconcile the existing inconsistency between the gas-phase and salt-like kinetic stabilities both in structure and energetics.
ISSN:1359-7345
1364-548X
DOI:10.1039/d1cc01250a