Xu, Shenzhen; Carter, Emily A. published the artcile< Optimal functionalization of a molecular electrocatalyst for hydride transfer>, SDS of cas: 3796-23-4, the main research area is optimal functionalization mol electrocatalyst hydride transfer; carbon dioxide reduction; catalyst functionalization; hydride transfer.
Optimization of hydride transfer (HT) catalysts to enhance rates and selectivities of (photo)electroreduction reactions could be a crucial component of a sustainable chem. industry. Here, the authors analyze how ring functionalization of the adsorbed transient intermediate 2-pyridinide (2-PyH) and predicted to form in situ from pyridine (Py) in acidified H2O at a cathode surface and to be the key to selective reduction and enhanced catalytic activity. Reducing the electron d. on 2-PyH could limit this protonation, with the trade-off that it may become less active for HT from 2-PyH. The authors explore here how Py functionalization affects the electron distribution and in turn tunes the catalytic performance of 2-PyH*. The authors indeed find that electron-withdrawing groups could enhance the stability of 2-PyH by reducing its electron d. on the ring. Also, the change in the number of electrons on the substituting group of the hydride donor is a good descriptor for both the stability against protonation and the magnitude of the HT barrier. The authors studied the effect of substituent on the process.
Proceedings of the National Academy of Sciences of the United States of America published new progress about Electrochemical reaction catalysts. 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, SDS of cas: 3796-23-4.