Stable, aromatic, and electrophilic azepinium ions: Design using quantum chemical methods

Cyclic nitrenium ions containing five‐membered and six‐membered rings are available, however, the seven‐membered cyclic nitrenium ions (azepinium ions) are rare. The chemistry of these species is related to their stability originating from the aromaticity due to 6π electrons. Very few theoretical an...

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Veröffentlicht in:	Journal of computational chemistry 2025-01, Vol.46 (1), p.e27520-n/a
Hauptverfasser:	Patra, Nabajyoti, Gupta, Astha, Bharatam, Prasad V.
Format:	Artikel
Sprache:	eng
Schlagworte:	ACID analysis Aromaticity azepinium ions Chemical analysis Chemical properties cyclic nitrenium ions DFT calculation Parameter estimation Quantum chemistry Stability
Online-Zugang:	Volltext
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