Assembly of 1H-pyrrole from cyclopentanone oxime and acetylene: a quantum-chemical model

Quantum-chemical modeling of the mechanism of 1,4,5,6-tetrahydrocyclo-penta[b]pyrrole assembly from cyclopentanone oxime and acetylene has been carried out. The kinetic and thermodynamic characteristics of all reaction stages are calculated. The computation results have revealed a fundamental possib...

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Veröffentlicht in:	Journal of physics. Conference series 2021-03, Vol.1847 (1), p.12051
Hauptverfasser:	Bobkov, A S, Vitkovskaya, N M
Format:	Artikel
Sprache:	eng
Schlagworte:	Acetylene Assembly Model testing Physics Quantum chemistry
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	Quantum-chemical modeling of the mechanism of 1,4,5,6-tetrahydrocyclo-penta[b]pyrrole assembly from cyclopentanone oxime and acetylene has been carried out. The kinetic and thermodynamic characteristics of all reaction stages are calculated. The computation results have revealed a fundamental possibility of 1,4,5,6-tetrahydro-cyclopenta[b]pyrrole formation via the Trofimov reaction.
ISSN:	1742-6588 1742-6596
DOI:	10.1088/1742-6596/1847/1/012051