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Experimental and Theoretical Study of Gold(III)-Catalyzed Hydration of Alkynes

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https://figshare.com/articles/dataset/Experimental_and_Theoretical_Study_of_Gold_III_Catalyzed_Hydration_of_Alkynes/2270590
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The properties of different Au­(III) halo dithiocarbamate complexes of structure [AuX2(S2CN­(R)2)] as suitable catalysts for the hydration reaction of phenylacetylene have been tested. Moderate catalytic activity was found for X = Cl, Br, while those compounds in which X = I, C6F5 are inert. A working mechanism involving the initial dissociation of a labile ligand (Cl or Br) followed by coordination and activation of the alkyne, solvent-assisted attack of water, and enol tautomerization has been proposed through computational studies.
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2014-07-28
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