A pyridone borane complex that liberates dihydrogen under mild conditions is described. The reverse reaction, dihydrogen activation by the formed pyridonate borane complex, is achieved under moderate H₂ pressure (2 bar) at room temperature. DFT and DLPNO‐CCSD(T) computations reveal that the active form of the pyridonate borane complex is a boroxypyridine that can be described as a single component frustrated Lewis pair (FLP). Significantly, the boroxypyridine undergoes a chemical transformation to a neutral pyridone donor ligand in the course of the hydrogen activation. This unprecedented mode of action may thus, in analogy to metal‐ligand cooperation, be regarded as an example of boron‐ligand cooperation.

中文翻译：

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吡啶酸酯硼烷络合物的可逆氢活化：结合沮丧的路易斯对反应性和硼-配体合作

描述了在温和条件下释放出二氢的吡啶酮硼烷络合物。室温下，在中等H ₂压力（2 bar）下，完成了逆反应，即通过形成的吡啶酸酯硼烷络合物活化了二氢。DFT和DLPNO-CCSD（T）计算表明，吡啶酸酯硼烷络合物的活性形式是硼氧基吡啶，可以描述为单组分沮丧路易斯对（FLP）。明显地，在氢活化的过程中，硼氧基吡啶经历化学转化为中性吡啶酮供体配体。因此，类似于金属-配体合作，这种前所未有的作用方式可以看作是硼-配体合作的一个例子。