Reaction-driven protonation of pyridine nitrogen as active sites for efficient acetylene hydrochlorination.

• Nitrogen-doped carbon catalysts with a layered structure were synthesized by the dual-template method. • An efficient non-metallic catalyst for the environmentally friendly synthesis of acetylene hydrochlorination. • Catalysts with higher specific surface area and nitrogen content exhibit superior catalytic performance. • The protonated pyridinic nitrogen and pyridinic N + O exhibit moderate adsorption strength towards hydrochloric acid, serving as active sites for the catalyst. Non-metallic catalysts present significant potential for environmentally friendly industrialization of acetylene hydrochlorination. However, the challenge of low activity in non-metallic catalysts hampers their practical application. In this study, we propose the use of a dual-template method to fabricate a layered N-doped carbon catalyst, subsequently applying it to acetylene hydrochlorination reactions. Experimental results indicate that the catalyst exhibits exceptional catalytic performance in acetylene hydrochlorination. Combined with characterization results, the catalyst's performance is positively correlated with its surface area and nitrogen content. Furthermore, DFT calculations suggest that protonated pyridinic nitrogen and pyridinic N + O − have moderate adsorption on HCl, potentially serving as active sites for the catalyst. This study analyzes the impact of various parameters of N-doped carbon catalysts on catalytic performance, providing direction for developing non-metallic catalysts suitable for industrial applications. [Display omitted] [ABSTRACT FROM AUTHOR]