DFT study on the Au( i )-catalyzed cyclization of indole-allenoate: counterion and solvent effects

A computational study using the B3LYP density functional was carried out to explore the effects of counterions and solvents on the Au( i )-catalyzed cyclization reaction of indole-allenoate to form dihydrocyclopenta[ b ]indole derivatives. The optimal reaction path includes intramolecular cyclizatio...

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Veröffentlicht in:	New journal of chemistry 2018, Vol.42 (19), p.15618-15628
Hauptverfasser:	Yuan, Binfang, He, Rongxing, Guo, Xiaogang, Shen, Wei, Zhang, Fengying, Xu, Yanyan, Li, Ming
Format:	Artikel
Sprache:	eng
Schlagworte:	Basicity Catalysis Catalytic activity Chemical reactions Density functional theory Mathematical analysis Migration Protonation Protons Solvent effect Solvents
Online-Zugang:	Volltext
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