Cobalt-Catalyzed Hydrosilylation of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Level-How to Control the Catalytic Network?

ABSTRACT: The selective hydrosilylation of carbon dioxide (CO₂) to either the formic acid, formaldehyde, or methanol level using a molecular cobalt(II) triazine complex can be controlled based on reaction parameters such as temperature, CO₂ pressure, and concentration. Here, we rationalize the catalytic mechanism that enables the selective arrival at each product platform. Key reactive intermediates were prepared and spectroscopically characterized, while the catalytic mechanism and the energy profile were analyzed with density functional theory (DFT) methods and microkinetic modeling. It transpired that the stepwise reduction of CO₂ involves three consecutive catalytic cycles, including the same cobalt(I) triazine hydride complex as the active species. The increasin

SUBMITTER: Cramer HH 

PROVIDER: S-EPMC8620560 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature