Pincer-type complexes [OsH2(CO)PyCH2NHCH2CH2NHPtBu2}] and [OsH2(CO)HN(CH2CH2PiPr2)2}] catalyze the disproportionation reaction of aldehydes via an outer-sphere bifunctional mechanism achieving turnover frequencies up to 14 000 h−1. The N−H group of the catalysts is a key player in this process, elucidated with the help of DFT calculations.
钳型配合物[OsH 2(CO)PyCH 2 NHCH 2 CH 2 NHP t Bu 2 }]和[OsH 2(CO)HN(CH 2 CH 2 P i Pr 2)2 }]催化通过外球双功能机制实现
醛类的转换频率高达14 000 h -1。在DFT计算的帮助下,催化剂的NH基是这一过程的关键因素。