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Pincer ligand supported Ru^II chloride complexes may be used for acetylene hydrochlorination as non-mercury molecular catalysts. Based on theoretical calculations, the catalytic mechanism and the interaction between catalysts and reactants has been evaluated, indicating that the (pincer)Ru^IICl₂ platform supports electrophilic proton-ruthenation of C₂H₂. Energy decomposition studies further illustrate the electron-rich property of the Ru^II center, which can increase the negative charge of C₂H₂ via 4d-electron backdonation. Thus, the electrophilic reaction mechanism is favored due to lower energetic barriers. By improving the electron-donating ability of ligands, this lowering of energetic barriers can be enhanced. Therefore, non-mercury catalysts for acetylene hydrochlorination with milder reaction conditions and higher catalytic activity can be designed.