Title: Identification of single-site gold catalysis in acetylene hydrochlorination

Citation
Malta G, Freakley SJ, Kondrat SA, et al. (2017). Identification of single-site gold catalysis in acetylene hydrochlorination. Cardiff University. https://doi.org/10.17035/d.2017.0032403846

Dataset Details

Publisher: Cardiff University

Date (year) of data becoming publicly available: 2017

Coverage start date: 01/04/2015

Coverage end date: 31/05/2016

Data format: .tif, .xrdml, .prj, .opj

Estimated total storage size of dataset: Less than 1 gigabyte

DOI : 10.17035/d.2017.0032403846

DOI URL: http://doi.org/10.17035/d.2017.0032403846

Description

There remains considerable debate over the active form of gold under operating conditions of a recently validated gold catalyst for acetylene hydrochlorination. We have performed an in situ x-ray absorption fine structure study of gold/carbon (Au/C) catalysts under acetylene hydrochlorination conditions and show that highly active catalysts comprise single-site cationic Au entities whose activity correlates with the ratio of Au(I):Au(III) present. We demonstrate that these Au/C catalysts are supported analogs of single-site homogeneous Au catalysts and propose a mechanism, supported by computational modeling, based on a redox couple of Au(I)-Au(III) species.

Research results based upon these data are published at http://doi.org/10.1126/science.aal3439