(Figure Presented) Round and round it goes: Propargylic esters are versatile substrates for Au-based catalysts. However, under typical conditions the starting Au-coordinated propargylic ester 1 is in rapid equilibrium with the gold vinylic carbenoid species 2 and with gold allene species 3. A number of factors dictate which intermediate is lower in energy and which type of products form.
- Density functional calculations
- Homogeneous catalysis
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