A Highly Active In Situ Zn(CH3COO)2-NC Catalyst for the Acetoxylation of Acetylene

A new catalyst, in situ Zn(CH3COO)2-NC, is prepared by a facile in situ generation method. With impregnation, drying, and high-temperature treatment, the precursor was obtained and then activated by acetic acid, generating Zn(OAc)2-iNC catalyst in situ. According to X-ray diffraction, high-resolution transmission electron microscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy, and other characterizations, ZnO could generate Zn(CH3COO)2. In addition, Zn–N bonds were formed after Zn combined with N elements, and the initially stacked zinc elements uniformly dispersed on the carrier during the in situ generation. After investigating the reaction process and reaction mechanism, the catalyst structure was obtained by DFT theory and Gaussian software calculations. The Zn(CH3COO)2-iNC catalysts had better catalytic performances compared with the traditional industrial Zn(CH3COO)2/AC catalysts, while the conversion rate on Zn(CH3COO)2-iNC catalysts was 280% times that on Zn(CH3COO)2/AC catalysts. After 72-h of stable operation, the conversion rate remained high at 98%.