Tailoring Active Cu<sub>2</sub>O/Copper Interface Sites for <i>N</i>‐Formylation of Aliphatic Primary Amines with CO<sub>2</sub>/H<sub>2</sub>
نویسندگان
چکیده
Heterogeneously catalyzed N-formylation of amines to formamide with CO2/H2 is highly attractive for the valorization CO2. However, relationship catalytic performance catalyst structure still elusive. Herein, mixed valence catalysts containing Cu2O/Cu interface sites were constructed this transformation. Both aliphatic primary and secondary diverse structures efficiently converted into desired formamides good excellent yields. Combined ex in situ characterization revealed that presence was vital activity. Density functional theory (DFT) calculations demonstrated better activity Cu2O/Cu(111) than Cu(111) attributed assistance oxygen at (Ointer) formation Ointer-H moieties, which not only reduce apparent barrier HCOOH but also benefit desorption N-formylated amine, leading high selectivity.
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ژورنال
عنوان ژورنال: Angewandte Chemie
سال: 2023
ISSN: ['1521-3773', '1433-7851', '0570-0833']
DOI: https://doi.org/10.1002/ange.202217380