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Capture and Utilization of CO 2 with Morpholine for Effective Photocatalytic N -Formylmorpholine Production.

Chunlei GuLinlin ZhangMingxia GuoXiping GuanChuanwei ShiYu JinXin Ding
Published in: Inorganic chemistry (2024)
Converting into high-value-added products represents the most optimal approach to CO 2 utilization. The substitution of CO with CO 2 as a potential critical material for formamide production is widely regarded as an ideal pathway and has garnered significant attention. However, high temperatures and pressures remain essential for the reaction, exerting a substantial influence on the utilization process. Herein, N -formylmorpholine was creatively synthesized by integrating the capture and solar-driven utilization of CO 2 with morpholine. Notably, a remarkable N -formylmorpholine yield of 11433.3 μmol·h -1 ·g -1 was obtained, surpassing pure MoO 3 by an astounding factor of 89.1 with a N -formylmorpholine yield of 63.8 μmol in 6 h, which is an astonishing increase of 57.5 times compared to MoO 3 . Both experimental results and density functional theory calculations suggest that the inclusion of Fe can effectively reduce the formation energy barrier while facilitating the desorption process of N -formylmorpholine, thereby optimizing the overall performance.
Keyphrases
  • density functional theory
  • molecular dynamics
  • visible light