For miniaturization, as well as improving artificial nanopore performance, precise local polymer functionalization and the combination of different functionalities are required. Imagining data driven nanopore design automated nanopore functionaliz...
Proton Tunneling Distances for Metal Hydrides Formation Manage the Selectivity of Electrochemical CO2 Reduction Reaction
Von Wiley-VCH zur Verfügung gestellt
A series of manganese polypyridine complexes were prepared as CO2 reduction electrocatalysts. In these catalysts, the intramolecular proton tunneling distance for metal hydride formation (PTD-MH) vary from 2.400 to 2.696 Å while the structural, energetic and electronic factors remain essentially close. The experimental and theoretical results revealed that the selectivity of CO2 reduction reaction (CO2RR) is dominated by the intramolecular PTD-MH within a difference of ca. 0.3 Å in PTD-MH. Specifically, the catalyst functionalized with a pendent phenol group featuring a slightly longer PTD-MH prefers the binding of proton to the [Mn-CO2] adduct rather than the Mn center and results in ca. 100% selectivity for CO product. By contrast, decreasing the PTD-MH by attaching a dangling tertiary amine in the same catalyst skeleton facilitates the proton binding on the Mn center and switches the product from CO to HCOOH with a selectivity of 86%.Zum Volltext
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