Picture of UK Houses of Parliament

Leading national thinking on politics, government & public policy through Open Access research

Strathprints makes available scholarly Open Access content by researchers in the School of Government & Public Policy, based within the Faculty of Humanities & Social Sciences.

Research here is 1st in Scotland for research intensity and spans a wide range of domains. The Department of Politics demonstrates expertise in understanding parties, elections and public opinion, with additional emphases on political economy, institutions and international relations. This international angle is reflected in the European Policies Research Centre (EPRC) which conducts comparative research on public policy. Meanwhile, the Centre for Energy Policy provides independent expertise on energy, working across multidisciplinary groups to shape policy for a low carbon economy.

Explore the Open Access research of the School of Government & Public Policy. Or explore all of Strathclyde's Open Access research...

On the mechanism of the digold(I) hydroxide-catalyzed hydrophenoxylation of alkynes

Gomez-Suarez, Adrian and Oonishi, Yoshihiro and Martin, Anthony R. and Vummaleti, Sai V. C. and Nelson, David J. and Cordes, David B. and Slawin, Alexandra M. Z. and Cavallo, Luigi and Nolan, Steven P. and Poater, Albert (2016) On the mechanism of the digold(I) hydroxide-catalyzed hydrophenoxylation of alkynes. Chemistry - A European Journal, 22 (3). pp. 1125-1132. ISSN 0947-6539

Text (Gomez-Suarez-etal-CEJ-2015-On-the-mechanism-of-the-digold-I-hydroxide-catalyzed)
Accepted Author Manuscript

Download (2MB)| Preview


    Herein we present a detailed investigation of the mechanistic aspects of the dual gold-catalysed hydrophenoxylation of alkynes, using both experimental and computational methods. The dissociation of [{Au(NHC)}2(µ-OH)][BF4] is essential to enter the catalytic cycle; this step is favored in the presence of bulky, non-coordinating counterions. Moreover, in silico studies confirmed that phenol does not only act as a reactant, but as a co-catalyst, lowering the energy barriers for several transition states. A gem-diaurated species might form during the reaction, but this lies deep within a potential energy well, and is likely to be an ‘off-cycle’ rather than an ‘in-cycle’ intermediate.