Gold(I) or gold(III) as active species in AuCl3-catalyzed cyclization/cycloaddition reactions? A DFT study
作者： Bernd F. Straub
DOI: 10.1039/B404876H
关键词:
摘要: In a B3LYP mechanistic study, AuCl and AuCl3 catalysts feature similar overall barriers for reaction sequence of 2-ethynyl benzaldehyde ethyne to 1-naphthyl carbaldehyde, comprising cyclization, [3+2] cycloaddition, two rearrangements.
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