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 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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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. |
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ISSN: | 1359-7345 1364-548X |
DOI: | 10.1039/d1cc01250a |