Hydrogenation of CO₂ to Methanol by a Nickel Pincer Catalyst and Mechanistic Investigations by Density Functional Theory Studies

Summary, in English

The hydrogenation of CO₂ into methanol by a nickel pincer catalyst has been studied in both aqueous and solid–gas phases. Hydrogenation occurs at the moderate temperatures of 60–95 °C. The solid–gas phase reaction is found to be more efficient than the aqueous reaction. At 95 °C and 1 MPa of H₂/CO₂ (3:1), 18 μmol of methanol is generated in the optimized solid–gas phase reaction versus 10 μmol in the aqueous phase. Methanol generation is also verified by hydrogenating ¹³CO₂ in the presence of KOH/KOD. The density functional theory studies support the mechanistic investigations for hydrogenating CO₂ into methanol.

• Author: Aman Mishra; Koushik Makhal; Dev Raj; Swarnasree Pasupalak; Bhabani S. Mallik; Ebbe Nordlander; Sumanta Kumar Padhi
• Department/s: LTH Profile Area: Photon Science and Technology; LU Profile Area: Light and Materials; Chemical Physics
• Publishing year: 2025-07-29
• Language: English
• Publication/Series: European Journal of Inorganic Chemistry
• Volume: 28
• Issue: 21
• Links: http://dx.doi.org/10.1002/ejic.202500138
• Document type: Journal article
• Publisher: John Wiley & Sons Inc.
• Topic: Inorganic Chemistry
• Keywords: CO; hydrogenation; methanol; nickel; pincer complex
• Status: Published
• ISBN/ISSN/Other: ISSN: 1434-1948