Gold on activated carbon (Au/AC) materials are promising alternative catalysts for ethyne hydrochlorination. The preparation of active, stable Au/AC catalysts without aqua regia for ethyne hydrochlorination remains a significant challenge. A novel catalyst preparation protocol involving impregnation using a H₂O₂/HCl mixture is established for highly active Au/AC catalysts comprising primarily of single-site cationic Au species, as identified by systematic X-ray photoelectron spectroscopy (XPS), temperature-programmed reduction (TPR) analyses and transmission electron microscopy (TEM) imaging. In addition, evaluation of the Au-C interface by temperature-programmed desorption (TPD) analyses showed that the oxidation of activated carbon by the H₂O₂/HCl mixture, which creates surface oxygen-containing functional groups (SOGs), is a crucial step for the formation of active Au/AC catalysts. The structure determination and comprehensive experimental evidence allow density functional theory (DFT) to predict that single-site cationic AuCl species stabilized by SOGs via -O- linkages are efficient active sites for Au-catalyzed ethyne hydrochlorination. In addition, these catalysts can be reused for several times with negligible changes in performance after treatment with the H₂O₂/HCl mixture. The H₂O₂/HCl mixture is thus envisioned as a viable, green alternative to toxic aqua regia for the preparation of Au/AC catalysts for ethyne hydrochlorination.

活性炭上的金（Au / AC）材料是乙炔氢氯化的有希望的替代催化剂。没有用于王水乙炔的王水的活性，稳定的Au / AC催化剂的制备仍然是一个巨大的挑战。建立了一种涉及使用H ₂ O ₂ / HCl混合物浸渍的新型催化剂制备方案，用于高活性Au / AC催化剂，该催化剂主要包含单中心阳离子Au物种，通过系统X射线光电子能谱（XPS）进行了鉴定，温度为-程序化还原（TPR）分析和透射电子显微镜（TEM）成像。此外，通过程序升温脱附（TPD）分析对Au-C界面的评估表明，活性炭被H ₂氧化形成表面含氧官能团（SOG）的O ₂ / HCl混合物是形成活性Au / AC催化剂的关键步骤。结构确定和全面的实验证据使密度泛函理论（DFT）可以预测，通过-O-键被SOG稳定的单中心阳离子AuCl物种是Au催化乙炔氢氯化的有效活性中心。另外，在用H ₂ O ₂ / HCl混合物处理后，这些催化剂可以重复使用几次，但性能变化可忽略不计。因此，将H ₂ O ₂ / HCl混合物设想为有毒王水的可行的绿色替代品。 用于制备乙炔盐酸盐的Au / AC催化剂。