A catalyst containing atomically dispersed Pd sites on N-heterocyclic carbene (NHC)-stabilized Au nanoclusters, with the precise formula of PdAu₉(NHC^Bn)₇X₂ (NHC^Bn is dibenzylbenzimidazolin-2-ylidene, X is Br or Cl), has been developed for the regioselective hydrogenation of alkenes. Each Pd site is encircled by an Au₉ ring protected by seven NHC and two halide ligands. Such an encirclement arrangement and open stereochemical framework endow the single Pd atom with the power to activate molecular hydrogen and catalyze the hydrogenation of alkenes efficiently. Interestingly, it otherwise exhibits much lower activity toward the crowded alkenes, owing to the inherent and highly stringent steric requirement of NHC ligands, as also visualized by the theory. As such, these clusters are demonstrated to be a highly efficient (653 h⁻¹ of turnover frequency) and highly selective (97%) catalyst in the regioselective hydrogenation of linalool, an important synthetic perfume and a key intermediate in the synthesis of vitamin A.

在 N-杂环卡宾 (NHC) 稳定的 Au 纳米团簇上含有原子分散的 Pd 位点的催化剂，其精确分子式为 PdAu ₉ (NHC ^Bn ) ₇ X ₂ (NHC ^Bn是二苄基苯并咪唑啉-2-亚基，X 是 Br 或 Cl) , 已被开发用于烯烃的区域选择性氢化。_{每个 Pd 位点都被 Au 9}包围由七个 NHC 和两个卤化物配体保护的环。这种环绕排列和开放的立体化学框架赋予单个Pd原子活化分子氢并有效催化烯烃加氢的能力。有趣的是，由于 NHC 配体固有的和高度严格的空间要求，它对拥挤烯烃的活性要低得多，这一点也被理论可视化。因此，这些簇在芳樟醇（一种重要的合成香料和维生素 A 合成的关键中间体）的区域选择性氢化中被证明是一种高效（周转频率为 653 h ^-1 ）和高选择性（97%）的催化剂.