We describe the synthesis and characterization of a new mononuclear palladium complex (PdL) based on a thiosemicarbazone ligand. X‐ray diffraction data collected on single crystals reveal that the complex is a neutral mononuclear entity with symmetric square‐planar geometry around the metal center. The complex exhibits an electrocatalytic behavior for proton reduction in DMF solvent using trifluoroacetic acid (TFA) as a proton source. Gas analysis under controlled electrocatalytic conditions during 4 h at a pool mercury working electrode showed a moderate production of dihydrogen. By combining experimental techniques to theoretical calculations, the results are analyzed and compared to those obtained for the previously reported NiL complex in an effort to rationalize the influence of the metal center on the catalytic performance of PdL to mediate hydrogen evolution.

中文翻译：

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金属离子对硫代氨基脲钯配合物电催化产氢的影响

我们描述了基于硫代半脲配体的新型单核钯配合物（PdL）的合成和表征。在单晶上收集的X射线衍射数据表明，该络合物是一个中性单核实体，在金属中心周围具有对称的正方形平面几何形状。该络合物显示出使用三氟乙酸（TFA）作为质子源的DMF溶剂中质子还原的电催化行为。在池中的汞工作电极下，在受控的电催化条件下进行的4小时内的气体分析表明，中等程度的二氢产生。通过将实验技术与理论计算相结合，对结果进行了分析，并与先前报道的NiL所获得的结果进行了比较。为了合理化金属中心对PdL催化性能的介导作用，以介导氢的释放。