Putting two and two together: Two key factors were found to account for the efficiency of the gold(I)/ligand catalyst in the hydroamination of alkynes with ammonia. On one hand, the excess nucleophile, NH 3, assists in the proton transfer, and on the other an unforeseen [Au] migration allows a feasible enamine-imine tautomerization. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
- computational chemistry
- density functional calculations