摘要
Mechanistic studies of the palladium catalyst activation with halide additives are of great importance to palladium catalysis.In this work,XAFS spectroscopy and cyclic voltammetry were utilized to study real structures of Pd(OAc)2 in solution with different inorgan-ic halogen additives.XAFS results demonstrate that Pd maintained+2 in the presence of excessive LiCl,LiBr,ZnCl_(2),ZnBr_(2),and Nal.Fitting results of EXAFS spectra revealed that the Pd's first shell is replaced by halogen partially or completely depending on the hal-ogen species.DFT calculations were conducted to identify the most reliable solvated structures.The combined experimental and computational studies elucidate the critical role of inorganic halide additives in Pd chemistry.
基金
supported by the National Natural Science Foundation of China(No.22031008)
the Science Foundationof Wuhan(No.2020010601012192).
